material_id stringlengths 4 10 | formula stringlengths 1 25 | space_group_number int64 1 230 | crystal_system stringclasses 7 values | structure stringlengths 533 242k | deprecated bool 2 classes | uncorrected_energy_per_atom float64 -86.36 -0.03 ⌀ | energy_per_atom float64 -86.36 -0.03 ⌀ | formation_energy_per_atom float64 -5.15 8.99 ⌀ | energy_above_hull float64 -0 9.71 ⌀ | is_stable bool 2 classes | equilibrium_reaction_energy_per_atom float64 -4.52 0 ⌀ | band_gap float64 0 17.9 ⌀ | cbm float64 -9.83 14.7 ⌀ | vbm float64 -14.22 14.7 ⌀ | efermi float64 -14.02 19.4 ⌀ | is_gap_direct bool 2 classes | is_metal bool 2 classes | is_magnetic bool 2 classes | ordering stringclasses 5 values | total_magnetization float64 0 320 ⌀ | total_magnetization_normalized_vol float64 0 0.26 ⌀ | total_magnetization_normalized_formula_units float64 0 214 ⌀ | num_magnetic_sites int64 0 160 ⌀ | num_unique_magnetic_sites int64 0 160 ⌀ | possible_species listlengths 0 10 ⌀ | theoretical bool 2 classes | e_total float64 1.16 127k ⌀ | e_ionic float64 0 127k ⌀ | e_electronic float64 -64.84 46.9k ⌀ | n float64 0 216 ⌀ | universal_anisotropy float64 -8,421,341,618,307,863,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 2,889,475,335,111,887,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000B ⌀ | homogeneous_poisson float64 -179.36 82.9 ⌀ | e_ij_max float64 0 119 ⌀ | xas_is_available bool 2 classes | bandstructure_is_available bool 2 classes | dos_is_available bool 2 classes | decomposes_to_is_available bool 2 classes | types_of_magnetic_species_is_available bool 2 classes |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-3250164 | Yb5IrPt | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.279844889212388,-0.034654316136895,1.035229042239596],[5.891384786614312,5.817957025036301,1.035229038384766],[-0.012351444100435,-0.005040354677396001,7.438960305979451]],"pbc":[true,true,true],"a":8.344383229510719,"b":8.344383608813466,"c":7.438972267543718,"alpha":82.96832211797275,"beta":82.96832334597804,"gamma":44.51513355733326,"volume":359.95402222196225},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.038206680700341,0.79083800236787,0.9193502993962631],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.9641210619253,4.595103633568566,7.6972615146771135]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.209161997633238,0.9617933192989481,0.580649700603544],"properties":{"magmom":-0.0},"label":"Yb","xyz":[7.3909515639871834,5.585497152224125,5.531637022014136]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9716302895160561,0.20421552253792102,0.076156388847351],"properties":{"magmom":0.0},"label":"Yb","xyz":[9.247119668144132,1.154062095539144,1.7837940867290427]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.795784477461367,0.028369710484405,0.42384361115281804],"properties":{"magmom":0.0},"label":"Yb","xyz":[6.750873838701046,0.13534006742425153,4.006144149844296]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36107355337413305,0.201410150296808,0.818365563715708],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.166109714348933,1.1551579890687378,6.670088409311896]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7985898497025441,0.638926446626435,0.6816344362842981],"properties":{"magmom":0.0},"label":"Yb","xyz":[10.367942463420322,3.6861363441972417,6.55881013089708]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.633384219101195,0.8000773201473871,0.17392027898158302],"properties":{"magmom":-0.0},"label":"Yb","xyz":[9.9557382748605,4.631989348467196,2.7777470650283127]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19992267985299603,0.366615780898428,0.32607972101843],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.8111758576897534,2.1243831167695784,3.0121911679433047]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.571679798798975,0.428320201200982,0.749999999999964],"properties":{"magmom":-0.0},"label":"Yb","xyz":[7.247555594431381,2.468357085057512,6.614449270072771]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42262343429297206,0.5773765657070841,0.250000000000056],"properties":{"magmom":0.0},"label":"Yb","xyz":[6.897716136821276,3.343246231778665,2.894969116509245]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17630775316690903,0.605095605331442,0.580586396858599],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.017480812258114,3.5113840418799853,5.127890608511262]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.394904394668863,0.823692246832415,0.919413603141443],"properties":{"magmom":-0.0},"label":"Ir","xyz":[8.111079020042766,4.7738867815348245,8.101007929429302]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8237793956197941,0.39704852388948103,0.41805538344074405],"properties":{"magmom":-0.0},"label":"Pt","xyz":[9.154767664151725,2.279356589832895,4.373733919439105]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6029514761106041,0.17622060438040402,0.081944616559198],"properties":{"magmom":-0.0},"label":"Pt","xyz":[6.029515951301379,1.0039360022114083,1.4162043158198196]}]} | false | -41.789813 | -41.789813 | -0.862104 | 0 | true | -0.007333 | 0 | null | null | 3.657463 | false | true | false | NM | 0.00102 | 0.000003 | 0.00051 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250165 | TbPr8NdRu4 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.87729240442401,-0.011649630409049,0.893844019972981],[6.376717182533898,6.176077900480939,0.8938440166893571],[-0.021380859992424003,-0.008640228984878,7.305506465785342]],"pbc":[true,true,true],"a":8.922186575026009,"b":8.92218680509456,"c":7.305542862536798,"alpha":84.41793909678215,"beta":84.41793987266053,"gamma":43.92571488399789,"volume":401.2181694078939},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5687903760144051,0.43120962398559404,0.7500000000001491],"properties":{"magmom":0.002},"label":"Tb","xyz":[7.782984658250752,2.650077859772671,6.372973867897146]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.020074705913323002,0.796348577567705,0.908935724859638],"properties":{"magmom":0.001},"label":"Pr","xyz":[5.236864864712465,4.91022357529555,7.369990882036686]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.203651422432464,0.979925294086555,0.591064275140027],"properties":{"magmom":0.001},"label":"Pr","xyz":[8.043942223397885,6.044615558444652,5.375956850752269]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9777061961840011,0.205869720393018,0.08863285669112701],"properties":{"magmom":0.001},"label":"Pr","xyz":[9.99026172583649,1.2593117064859327,1.7054401621784638]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.794130279606818,0.022293803816111003,0.41136714330928403],"properties":{"magmom":0.001},"label":"Pr","xyz":[7.183092597838376,0.12488263849723928,3.735001109913923]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36182416804633205,0.21059170658631302,0.8138735146589221],"properties":{"magmom":0.001},"label":"Pr","xyz":[4.537501376954355,1.289383613710112,6.457408729458686]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7894082934135651,0.63817583195378,0.686126485341205],"properties":{"magmom":0.001},"label":"Pr","xyz":[11.062605065886922,3.9262990475447346,6.2885390063791755]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6407769811909101,0.788521419646748,0.18599764659290902],"properties":{"magmom":0.001},"label":"Pr","xyz":[10.71256592387253,4.860897836673426,2.6363768355618316]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21147858035337203,0.35922301880899,0.314002353406898],"properties":{"magmom":0.001},"label":"Pr","xyz":[4.161307151114862,2.2134126482744785,2.8040644335066487]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42761738109748304,0.5723826189025161,0.24999999999985],"properties":{"magmom":0.001},"label":"Nd","xyz":[7.440661395157697,3.5279380015307433,2.7202206345387308]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17704069647349702,0.6042277428721761,0.5735305888376551],"properties":{"magmom":0.006},"label":"Ru","xyz":[5.41236888299348,3.7247397153116597,4.8882635455978605]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39577225712795805,0.8229593035263391,0.926469411162798],"properties":{"magmom":0.006},"label":"Ru","xyz":[8.741356070638968,5.070045259122581,7.857684188343053]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8245526173316831,0.392825955185756,0.42958369563213905],"properties":{"magmom":0.006},"label":"Ru","xyz":[9.81554983621345,2.4128062658149037,4.226473021834619]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607174044814179,0.175447382668416,0.07041630436740501],"properties":{"magmom":0.006},"label":"Ru","xyz":[6.507334314739739,1.0758949365855708,1.2139682491347183]}]} | false | -28.609018 | -28.609018 | -0.210858 | 0.005692 | false | null | 0 | null | null | 4.80423 | false | true | false | NM | 0.053868 | 0.000134 | 0.053868 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250166 | Ba4ErPdO8 | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.356197402643881,-0.012713867226693001,0.0],[-4.999730177182481,5.395969393988428,0.0],[0.0,0.0,5.885426170224982]],"pbc":[true,true,true],"a":7.356208389454749,"b":7.3562074158827935,"c":5.885426170224982,"alpha":90.0,"beta":90.0,"gamma":132.9162141126409,"volume":233.240911278042},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35700062876673405,0.6429993712316601,0.0],"properties":{"magmom":-0.004},"label":"Ba","xyz":[-0.5886562621802103,3.4650660689258546,0.0]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8549807344212891,0.145019265577872,0.5],"properties":{"magmom":0.003},"label":"Ba","xyz":[5.564349859477917,0.7716494070580642,2.942713085112491]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14501926557871,0.8549807344221271,0.5],"properties":{"magmom":0.003},"label":"Ba","xyz":[-3.207882634016519,4.611606119703666,2.942713085112491]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.642999371233266,0.35700062876833905,0.0],"properties":{"magmom":-0.004},"label":"Ba","xyz":[2.945123487641615,1.9181894578358754,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Er","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.183},"label":"Pd","xyz":[1.1782336127307,2.6916277633808674,2.942713085112491]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25971619274449803,0.259716192744711,0.737206790893097],"properties":{"magmom":-0.053},"label":"O","xyz":[0.6120126961229606,1.3981186299824844,4.338776139989809]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.740283807255501,0.7402838072552881,0.262793209106902],"properties":{"magmom":-0.053},"label":"O","xyz":[1.7444545293384368,3.9851368967792458,1.5466500302351673]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.740283807255501,0.7402838072552881,0.737206790893097],"properties":{"magmom":-0.053},"label":"O","xyz":[1.7444545293384368,3.9851368967792458,4.338776139989809]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25971619274449803,0.259716192744711,0.262793209106902],"properties":{"magmom":-0.053},"label":"O","xyz":[0.6120126961229606,1.3981186299824844,1.5466500302351673]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16423262918494402,0.8357673708174781,0.0],"properties":{"magmom":-0.165},"label":"O","xyz":[-2.970483704740945,4.50768712158354,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6519464701976141,0.348053529805397,0.5],"properties":{"magmom":-0.083},"label":"O","xyz":[3.05567319448761,1.8697974334385576,2.942713085112491]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.348053529802385,0.6519464701946021,0.5],"properties":{"magmom":-0.083},"label":"O","xyz":[-0.6992059690262115,3.513458093323172,2.942713085112491]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.835767370815062,0.16423262918252102,0.0],"properties":{"magmom":-0.165},"label":"O","xyz":[5.326950930202394,0.8755684051781891,0.0]}]} | false | -17.564915 | -17.564915 | -2.517451 | 0 | true | -0.024215 | 0 | null | null | 2.025956 | false | true | false | NM | 1.002659 | 0.004299 | 1.002659 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250167 | RbTbGeS4 | 4 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.729622661116983,0.0,0.0],[0.0,6.192127495328678,1.9967783006423572],[0.0,-0.017505146624673,8.982898971377084]],"pbc":[true,true,true],"a":6.729622661116983,"b":6.506117621156382,"c":8.982916027667509,"alpha":72.23867412356493,"beta":90.0,"gamma":90.0,"volume":374.5587486373856},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9882397438306461,0.73404319672128,0.06365597888464601],"properties":{"magmom":0.0},"label":"Rb","xyz":[6.650480574699158,4.544174753932882,2.037536754192089]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48823974383064606,0.265956803278719,0.9363440211153531],"properties":{"magmom":0.0},"label":"Rb","xyz":[3.2856692441406667,1.6304475947711161,8.942140517827342]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5092124591224371,0.228961334972716,0.45102862319957604],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.426807704233458,1.4098624554706813,4.508729580760719]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.009212459122437,0.771038665027283,0.5489713768004231],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.06199637367496592,4.764759893233317,6.470947691258712]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47348475904635,0.778202516146677,0.330386040958181],"properties":{"magmom":-0.0},"label":"Ge","xyz":[3.1863737641718317,4.81294574107608,4.52172232522756]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9734847590463501,0.22179748385332201,0.6696139590418181],"properties":{"magmom":-0.0},"label":"Ge","xyz":[6.551185094730324,1.3616766076279188,6.4579549467918715]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47556046273746205,0.576198659370419,0.17575256653495303],"properties":{"magmom":-0.0},"label":"S","xyz":[3.2003424667693032,3.564818987012238,2.7293085290337817]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23729510409415802,0.026989256951900003,0.287627236472062],"properties":{"magmom":0.0},"label":"S","xyz":[1.5969065098841593,0.16208596310265774,2.637617969276934]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.742300565259235,0.98317089512313,0.306456682366395],"properties":{"magmom":0.0},"label":"S","xyz":[4.995402705328495,6.082554963139907,4.716043726005712]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9069069059097211,0.432987202018196,0.43122461092831005],"properties":{"magmom":0.0},"label":"S","xyz":[6.103141265533547,2.6735633086998365,4.738226563386182]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.406906905909721,0.567012797981803,0.568775389071689],"properties":{"magmom":0.0},"label":"S","xyz":[2.7383299349750545,3.5010590400041623,6.2414507086332485]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24230056525923502,0.016829104876869002,0.6935433176336041],"properties":{"magmom":0.0},"label":"S","xyz":[1.6305913747700025,0.09206738556409208,6.263633546013719]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7372951040941581,0.9730107430480991,0.7123727635279381],"properties":{"magmom":0.0},"label":"S","xyz":[4.961717840442652,6.012536385601341,8.342059302742506]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9755604627374621,0.42380134062958,0.824247433465046],"properties":{"magmom":-0.0},"label":"S","xyz":[6.565153797327795,2.6098033616917613,8.25036874298565]}]} | false | -14.488474 | -14.488474 | -1.464842 | 0 | true | -0.028209 | 2.9184 | 4.4065 | 1.4881 | 1.573486 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Rb+",
"S2-",
"Ge4+",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250168 | La6Tb2DyPt6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.312706445466921,0.002216049876742,2.519664980806626],[1.7975606536932531,7.088329494042192,2.51967222245606],[0.002844695080522,0.002206214352801,7.734622940031529]],"pbc":[true,true,true],"a":7.73462294387734,"b":7.734622642923907,"c":7.7346237778015965,"alpha":70.96702808239921,"beta":70.96702944770156,"gamma":70.96702101469491,"volume":400.810935980018},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32674802798288005,0.6063885945246811,0.841002973411981],"properties":{"magmom":-0.0},"label":"La","xyz":[3.4818250856611006,4.300861682177915,8.856036952081132]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8410029734125991,0.32674802798256003,0.606388594524318],"properties":{"magmom":-0.0},"label":"La","xyz":[6.739082253756199,2.3192992116250886,7.632530804493191]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.606388594524084,0.8410029734122301,0.326748027983477],"properties":{"magmom":-0.0},"label":"La","xyz":[5.947025136786529,5.963370844574332,6.174220730343697]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6732519720171191,0.39361140547531903,0.158997026588018],"properties":{"magmom":-0.0},"label":"La","xyz":[5.631286708579588,2.79189007609382,3.9179231912130748]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.1589970265874,0.673251972017439,0.393611405475688],"properties":{"magmom":-0.0},"label":"La","xyz":[2.374029540484489,4.77345254664664,5.141429338801066]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39361140547591505,0.158997026587769,0.6732519720165221],"properties":{"magmom":-0.0},"label":"La","xyz":[3.1660866574541586,1.1293809136973971,6.599739412950506]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8052369629800321,0.805236962980117,0.805236962979861],"properties":{"magmom":-0.0},"label":"Tb","xyz":[7.338214464492041,5.711345885002617,10.2860648710131]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19476303701996703,0.194763037019889,0.194763037020138],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.774897329748659,1.3814058732691614,2.4878952722811203]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Dy","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15929523654159503,0.962765350800403,0.59232063892967],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.897193387935541,6.826057824404745,7.4086005419976635]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5923206389297341,0.159295236541517,0.9627653508004591],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.62054857746946,1.13257380225187,9.340448322172218]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9627653508003601,0.592320638929777,0.159295236541552],"properties":{"magmom":-0.0},"label":"Pt","xyz":[8.105605807556369,4.201048830330018,5.150388590636496]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8407047634584041,0.037234649199597,0.40767936107032904],"properties":{"magmom":-0.0},"label":"Pt","xyz":[6.215918406305148,0.2666939338669904,5.365359601296542]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40767936107026503,0.8407047634584821,0.037234649199540004],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.492563216771227,5.960177956019859,3.4335118211219857]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.037234649199639,0.407679361070222,0.840704763458447],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.0075059866843175,2.8917029279417106,7.623571552657707]}]} | false | -39.91362 | -39.91362 | -1.124976 | 0 | true | -0.003258 | 0 | null | null | 7.877371 | false | true | false | NM | 0.001836 | 0.000005 | 0.001836 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250169 | Tb4Tm6Ru3Rh | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.846278445099576,0.008660383787419,-2.344893843358591],[-0.352333340909436,7.119874304516019,-0.8682438817540771],[-0.000252590205315,0.001066930976409,8.39950017282777]],"pbc":[true,true,true],"a":6.299013716170514,"b":7.1812670423419895,"c":8.39950024438819,"alpha":96.9369234575934,"beta":111.85700243741344,"gamma":89.95216990048218,"volume":349.6549550911458},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7893001955529111,0.083491131317728,0.811044484549682],"properties":{"magmom":-0.0},"label":"Tb","xyz":[4.584847148847508,0.6021473316248491,4.889052455084967]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.980221609070667,0.41453442433888205,0.19358535254048],"properties":{"magmom":-0.0},"label":"Tb","xyz":[5.584545268117431,2.960128633728224,-1.0324123918248544]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21284736285286202,0.914967908572975,0.190206398175838],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.9219432052173722,6.516502778654058,0.3041189150023015]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.024513026710707,0.586153489335089,0.8104720581707661],"properties":{"magmom":-0.0},"label":"Tb","xyz":[-0.06341615480377431,4.174416177182787,6.241155566377412]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.204716536654125,0.183184711030726,0.5655608839684021],"properties":{"magmom":-0.0},"label":"Tm","xyz":[1.132144939215663,1.3066284552490652,4.111341191619952]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6413695971972401,0.314382621768835,0.43108554799950805],"properties":{"magmom":-0.001},"label":"Tm","xyz":[3.638748883997663,2.2443791959042603,1.843998727259637]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7915396108277051,0.8143065764731291,0.43322108962171],"properties":{"magmom":-0.0},"label":"Tm","xyz":[4.340544181207242,5.805077723642303,1.0757475540509445]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35757476637446906,0.6872140650419281,0.565561981163135],"properties":{"magmom":-0.0},"label":"Tm","xyz":[1.848210366293458,4.896577913700305,3.3152936828846875]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42131895457774904,0.24969896756594703,0.00033376859242600004],"properties":{"magmom":-0.0},"label":"Tm","xyz":[2.375170566888957,1.7814744029885727,-1.2019443341993181]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.579117404671677,0.7517579030144501,0.0016055305029780002],"properties":{"magmom":-0.0},"label":"Tm","xyz":[3.1208118210486018,5.357438868862086,-1.9971923829117484]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.822874020585437,0.074755750689647,0.220424699571509],"properties":{"magmom":-0.0},"label":"Ru","xyz":[4.784356029068268,0.5396131312169282,-0.14300114574634162]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.399914475991948,0.573207947679314,0.22292719888394402],"properties":{"magmom":-0.0},"label":"Ru","xyz":[2.135994800406387,4.084869798604519,0.4370357593848269]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17933975326251703,0.925742163111628,0.7783152835928531],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.7221037098809993,6.59355139952263,5.313156706554483]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5953516856699821,0.42660234005970904,0.7756547226667431],"properties":{"magmom":-0.0},"label":"Rh","xyz":[3.330089576687442,3.0433385833745272,4.74868060303447]}]} | false | -31.624478 | -31.624478 | -0.478631 | 0 | true | -0.001316 | 0 | null | null | 4.61135 | false | true | false | NM | 0.005778 | 0.000017 | 0.005778 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250170 | KPr(CuO2)4 | 82 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.217101715825449,-0.12848845640492002,-3.5948791920891052],[-1.5104845780004081,4.995301334029858,-3.5948862626114972],[0.09785567115743,0.12849506956050702,6.334959732344467]],"pbc":[true,true,true],"a":6.337019488877511,"b":6.337018724861905,"c":6.337018346644178,"alpha":123.6966797025391,"beta":123.69668274804467,"gamma":83.70817926985144,"volume":168.775950371542},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"K","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Pr","xyz":[3.5841329779476996,1.2167065259840282,-0.42740109354746947]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8727535069211421,0.6415659230328781,0.26496696853365603],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.6100969064796202,3.1267233093209237,-3.765244869062073]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.392212461612423,0.12724649307945401,0.7688124161126311],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.929241096018011,0.6840284077424376,3.003002610734612]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.358434076967448,0.623401045500315,0.23118758388743202],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.9509723890041968,3.097727897624004,-2.0650190250477807]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.376598954498973,0.6077875383873631,0.7350330314662721],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.1186284988767319,3.082141403473368,1.1176498386558582]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37670713005544304,0.9559280791966951,0.9181469909123331],"properties":{"magmom":0.0},"label":"O","xyz":[0.6112506832886729,4.84472365305435,1.0257548725061603]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666873505014947,0.8173303889716621,0.38426326007001405],"properties":{"magmom":0.0},"label":"O","xyz":[2.2821842987945344,4.046501969428821,-2.901247195099954]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.717389755057226,0.33312649498252905,0.150456883952436],"properties":{"magmom":0.0},"label":"O","xyz":[3.254235948189633,1.5912238902882372,-2.823343062305027]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.541439860862716,0.623292869939824,0.579221949137611],"properties":{"magmom":0.0},"label":"O","xyz":[1.9399527120834255,3.1183940973887667,-0.5177301414365251]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.182669611022916,0.5669328711013291,0.849543116045204],"properties":{"magmom":0.0},"label":"O","xyz":[0.17979519433454955,2.9176916927563035,2.6870870571984566]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.044071920800902005,0.962217911720543,0.420778050864449],"properties":{"magmom":0.0},"label":"O","xyz":[-1.1823121041238733,4.854973589885907,-0.9518851750447876]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.037782088280948006,0.458560139142939,0.081853009085605],"properties":{"magmom":0.0},"label":"O","xyz":[-0.4875252395228012,2.296309220686859,-1.2657580712524883]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43306712890490906,0.282610244944478,0.615736739932344],"properties":{"magmom":0.0},"label":"O","xyz":[1.892730176646218,1.43519834189752,1.3278917554942546]}]} | false | -10.417317 | -10.417317 | -1.375198 | 0 | true | -0.00174 | 1.0273 | 3.0868 | 2.0595 | 2.57315 | false | false | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [
"K+",
"Cu3+",
"O2-",
"Pr3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250171 | Dy3Ho3(CI3)2 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.898026753797589,0.0,0.0],[0.0,8.626919305525139,-0.33519346929141103],[0.0,0.005772600879164,11.896763824443562]],"pbc":[true,true,true],"a":3.898026753797589,"b":8.63342871435781,"c":11.89676522494707,"alpha":92.19727055199687,"beta":90.0,"gamma":90.0,"volume":400.0714672949761},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.918142875297228,0.596906194457673],"properties":{"magmom":0.009000000000000001},"label":"Dy","xyz":[0.9745066884493973,7.924190197354921,6.793496525134249]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.082405502353672,0.40301096706326606],"properties":{"magmom":-0.006},"label":"Dy","xyz":[2.9235200653481916,0.7132320405991723,4.766904507589651]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8871833236700151,0.189299776462341],"properties":{"magmom":0.095},"label":"Dy","xyz":[0.9745066884493973,7.654751694564843,1.9546766764339942]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.112471862415496,0.8096145547069891],"properties":{"magmom":-0.1},"label":"Ho","xyz":[2.9235200653481916,0.9749592628908953,9.594093312420375]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.29144936615104905,0.6148052094210991],"properties":{"magmom":-0.008},"label":"Ho","xyz":[0.9745066884493973,2.5178591885239685,7.216500450357427]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7090978328260671,0.385332236038046],"properties":{"magmom":0.009000000000000001},"label":"Ho","xyz":[2.9235200653481916,6.119554152717759,4.3465216434373835]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.88092572693916,0.38671019557540304],"properties":{"magmom":0.003},"label":"C","xyz":[0.9745066884493973,7.601907484080166,4.305319314664154]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.119649356787746,0.613719917503537],"properties":{"magmom":-0.003},"label":"C","xyz":[2.9235200653481916,1.0357481061012126,7.261175229896397]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8593969935763681,0.8714762119719871],"properties":{"magmom":-0.003},"label":"I","xyz":[0.9745066884493973,7.418979199341633,10.079682412675975]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.14180115379586,0.12819663506196802],"properties":{"magmom":0.003},"label":"I","xyz":[2.9235200653481916,1.2240471392355086,1.477594269730255]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.37395041272351603,0.870077657531872],"properties":{"magmom":-0.004},"label":"I","xyz":[0.9745066884493973,3.2310626458844034,10.22576266439802]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6231495755988941,0.130446783717779],"properties":{"magmom":0.004},"label":"I","xyz":[2.9235200653481916,5.376614121182269,1.343018909416223]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.38526317425239404,0.369999680523072],"properties":{"magmom":-0.001},"label":"I","xyz":[0.9745066884493973,3.3257701761469516,4.272661114334677]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.615111843612531,0.6304029799649551],"properties":{"magmom":0.001},"label":"I","xyz":[2.9235200653481916,5.310159303514477,7.293573894005777]}]} | false | -27.056762 | -27.056762 | -1.211332 | 0 | true | -0.000095 | 0.1345 | 5.612 | 5.4775 | 5.514925 | false | false | true | AFM | 0 | 0 | 0 | 2 | 6 | [
"C4-",
"Dy3+",
"Dy2+",
"I-",
"Ho2+",
"Ho3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250172 | Tb2Y2TmRu2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8643371525444845,4.0824930000000005e-10,-2.371384852310735],[-0.33960949485269704,7.188887247248438,-0.8398401335144741],[0.016634659309936,-0.0077851939800110005,8.477961509067516]],"pbc":[true,true,true],"a":6.325655409242773,"b":7.2457412258862055,"c":8.47798140304436,"alpha":96.71385372628245,"beta":111.90469254171812,"gamma":90.00000050516302,"volume":357.65336650438445},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20769915881690001,0.18521861216371602,0.569135009919982],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.1645832612793228,1.327084892568543,4.177016044539347]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.638564148896911,0.314781387836284,0.43086499008001705],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.6450200068655523,2.2595735374211516,1.874209408792014]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7923008411830991,0.8147813878362841,0.43086499008001705],"properties":{"magmom":0.0},"label":"Tb","xyz":[4.376779055722396,5.854017161108134,1.089720478702954]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.361435851103088,0.685218612163716,0.569135009919982],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.8963423101361658,4.921528516255526,3.3925271144502873]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.792671762839795,0.085694431422595,0.814681524588706],"properties":{"magmom":0.0},"label":"Y","xyz":[4.632943775634856,0.6097051518368526,4.955139173631355]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.977991238251085,0.414305568577404,0.185318475411293],"properties":{"magmom":0.0},"label":"Y","xyz":[5.597650958181894,2.97695327853022,-1.096021150655062]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20732823716020402,0.9143055685774041,0.185318475411293],"properties":{"magmom":0.0},"label":"Y","xyz":[0.9084185413668618,6.571396901839817,0.31159734961094737]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.022008761748914002,0.585694431422595,0.814681524588699],"properties":{"magmom":0.0},"label":"Y","xyz":[-0.05628864118017654,4.204148775146449,6.362757673897304]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.423429746324245,0.250000000000007,7.1e-15],"properties":{"magmom":0.0},"label":"Tm","xyz":[2.39823241914858,1.7972218119850247,-1.2140749198296559]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5765702536757541,0.749999999999992,0.9999999999999921],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.1431298978531386,5.383880241691645,6.480811443071959]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.599818254010791,0.42570481595184606,0.7809051396288781],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.385953165219184,3.0542644247413464,4.840559804839207]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8189111143819111,0.07429518404815301,0.21909486037111403],"properties":{"magmom":-0.0},"label":"Ru","xyz":[4.780784091135697,0.5323940054820502,-0.14687169626382438]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.400181745989208,0.57429518404816,0.21909486037112202],"properties":{"magmom":-0.0},"label":"Ru","xyz":[2.1554091517825316,4.126837628935374,0.426176718403098]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.181088885618088,0.9257048159518461,0.7809051396288851],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.7605782258660212,6.64870804819462,5.413608219506126]}]} | false | -27.376413 | -27.376413 | -0.369243 | 0 | true | -0.0003 | 0 | null | null | 4.686806 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250173 | ErCu4BiO8 | 82 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.05756345499065,-0.010074288047654001,-3.6876754993740533],[-1.313257801380068,4.884095827696194,-3.687678166107831],[0.0077381625113770005,0.010076726560784,6.259221087681522]],"pbc":[true,true,true],"a":6.259233194347395,"b":6.259233847987579,"c":6.259233982210146,"alpha":126.02654746269343,"beta":126.02655556102945,"gamma":79.84450759954345,"volume":154.90651619185633},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":0.036000000000000004},"label":"Er","xyz":[0.28331659396829995,3.6655916620406237,-0.5580669555836257]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.372038973006226,0.12002531373611401,0.24217034560507503],"properties":{"magmom":0.341},"label":"Cu","xyz":[1.7258604875712278,0.584907390611256,-0.2987760003898468]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8778549681305201,0.129868627400846,0.7578296543946901],"properties":{"magmom":0.341},"label":"Cu","xyz":[4.275120426531864,0.6330834996310813,1.0272653939504413]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8701313725986771,0.627961026993688,0.747986340729418],"properties":{"magmom":0.341},"label":"Cu","xyz":[3.581857953294676,3.065793131635561,-0.8426684351888208]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8799746862645671,0.12214503186935101,0.25201365927081504],"properties":{"magmom":0.341},"label":"Cu","xyz":[4.292070021216819,0.5902423947968973,-2.1180834472386927]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.005},"label":"Bi","xyz":[1.8721528268052907,2.43701076982427,-3.687676832740942]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9208186359507661,0.34302044276612503,0.15760484051040102],"properties":{"magmom":0.069},"label":"O","xyz":[4.207843981231924,1.6676562620327957,-3.6741457792365706]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18541460225279102,0.763212795439123,0.8423951594876651],"properties":{"magmom":0.069},"label":"O","xyz":[-0.05803045070526248,3.7342250954155185,1.774505498637253]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.858166172640878,0.916611539468796,0.37239619783139905],"properties":{"magmom":0.074},"label":"O","xyz":[3.139364280312749,4.471925716979617,-4.213896595702223]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5442173416401981,0.48577197481044004,0.6276038021707251],"properties":{"magmom":0.074},"label":"O","xyz":[2.11932640325397,2.3733984650261815,0.1300432909395242]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.514228025193823,0.141833827359676,0.058445366830419],"properties":{"magmom":0.074},"label":"O","xyz":[2.4149287472191734,0.6881384611658917,-2.0535211254263084]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08338846052510701,0.45578265836108006,0.9415546331674631],"properties":{"magmom":0.074},"label":"O","xyz":[-0.16953179854193326,2.234733889246918,3.9051092745883276]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6569795572423871,0.814585397746547,0.5777981931909361],"properties":{"magmom":0.069},"label":"O","xyz":[2.2574262672217875,3.9777168555351747,-1.81008956728758]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23678720455404,0.079181364048217,0.42220180681100306],"properties":{"magmom":0.069},"label":"O","xyz":[1.0968478344953725,0.38859831943521733,1.4774646922862193]}]} | false | -14.57196 | -14.57196 | -1.45802 | 0 | true | -0.014817 | 0 | null | null | 4.961932 | false | true | true | FM | 2.000142 | 0.012912 | 2.000142 | 4 | 1 | [
"Bi5+",
"Er3+",
"Cu2+",
"O2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250174 | PrTcMo5S8 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.550223743585172,0.00009358963445180003,0.095764903313847],[0.126414142062675,6.526392581345314,0.09969703996075001],[-0.032549999777439005,-0.028104911072882002,6.530823152366713]],"pbc":[true,true,true],"a":6.550923752913986,"b":6.528378065103883,"c":6.5309647400671995,"alpha":89.37704102401894,"beta":89.44796159344381,"gamma":88.87697392918218,"volume":279.22660435588915},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0058289631537810005,0.997357771691397,0.9990838002667881],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.1317409624119618,6.481069746283502,6.624831441649184]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.768001650953223,0.5801408778852271,0.437853213765784],"properties":{"magmom":-0.0},"label":"Tc","xyz":[5.089668538529134,3.7739931729232117,2.990927837933552]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43542316101340306,0.7684599787273351,0.5806269832622271],"properties":{"magmom":-0.0},"label":"Mo","xyz":[2.9303639285212593,4.998993785590228,3.910283587300267]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5798659522424431,0.43884176277256803,0.7689709716967741],"properties":{"magmom":0.0},"label":"Mo","xyz":[3.8286975284596556,2.842496033608724,5.121295457066292]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23058770476096402,0.419307247112271,0.5625078101273281],"properties":{"magmom":0.0},"label":"Mo","xyz":[1.5450977955139817,2.7207760554954192,3.737524930389633]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.562549190147628,0.231600976704143,0.42068591053282406],"properties":{"magmom":-0.0},"label":"Mo","xyz":[3.7004073747163195,1.4997482048621753,2.8243876850154312]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41818916006494006,0.562033867375852,0.23235738629644903],"properties":{"magmom":0.0},"label":"Mo","xyz":[2.8027183618495597,3.6615624169982097,1.6135659554638484]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7563379726206131,0.7556937394891461,0.751316952735393],"properties":{"magmom":-0.0},"label":"S","xyz":[5.025257955529943,4.910909104421264,5.054489211454454]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24432925031486202,0.24335238771793402,0.24275283190097202],"properties":{"magmom":0.0},"label":"S","xyz":[1.6232728353526908,1.581413537786949,1.633035494637459]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25444461366202303,0.625671753458107,0.875367622179524],"properties":{"magmom":-0.0},"label":"S","xyz":[1.7172696918554746,4.0588011743272485,5.8036156193951305]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8751067903743031,0.259967428879193,0.623750133569132],"properties":{"magmom":0.0},"label":"S","xyz":[5.744705769259522,1.6792009581175393,4.183324313920066]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.627724998226852,0.871240717861354,0.25735215322463],"properties":{"magmom":0.0},"label":"S","xyz":[4.2134995231758126,5.678884846788634,1.8276955450177748]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7456108805973961,0.37503629295350205,0.128503192658556],"properties":{"magmom":-0.0},"label":"S","xyz":[4.92714520588816,2.4440922907144915,0.9480249879430166]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.121288051762029,0.7465092204434991,0.373484981813682],"properties":{"magmom":-0.0},"label":"S","xyz":[0.8766762630341588,4.861526827311823,2.5252042644217947]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37471166010551804,0.12478697692846201,0.7453840559699211],"properties":{"magmom":0.0},"label":"S","xyz":[2.4459578007944596,0.7934949169935386,4.9162965682593605]}]} | false | -17.752814 | -17.752814 | -1.086093 | 0 | true | -0.028443 | 0.9772 | 8.3593 | 7.3821 | 7.8707 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250175 | Ac3EuI10 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.652214032703666,0.0,0.0],[0.0,9.075442801038543,0.441294624815011],[0.0,-0.5354211010329261,15.07932405332355]],"pbc":[true,true,true],"a":4.652214032703666,"b":9.08616547179353,"c":15.08882664956336,"alpha":89.24972286834704,"beta":90.0,"gamma":90.0,"volume":637.7618863282539},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.908277474532525,0.15446851403907402],"properties":{"magmom":0.116},"label":"Ac","xyz":[1.1630535081759166,8.160314565729951,2.730098746582312]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.58306099062576,0.33728321122222804],"properties":{"magmom":0.14400000000000002},"label":"Ac","xyz":[3.4891605245277497,5.110948121628429,5.343304520868014]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.42494629688767505,0.653655518587967],"properties":{"magmom":0.006},"label":"Ac","xyz":[1.1630535081759166,3.50659485345862,10.044209900682784]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.08195845167944,0.8562187626362031],"properties":{"magmom":6.836},"label":"Eu","xyz":[3.4891605245277497,0.28537164766271367,12.947368006511322]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.649896239392823,0.719727372590064],"properties":{"magmom":-0.0},"label":"I","xyz":[3.4891605245277497,5.5127389249439105,11.139797998464255]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.34177458263047805,0.278905691943151],"properties":{"magmom":0.009000000000000001},"label":"I","xyz":[1.1630535081759166,2.9524236828471726,4.356532595340429]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.14594508086628302,0.07505293224946201],"properties":{"magmom":-0.007},"label":"I","xyz":[3.4891605245277497,1.2843313098741398,1.196152266246258]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.853910982767985,0.9300728423087891],"properties":{"magmom":-0.021},"label":"I","xyz":[1.1630535081759166,7.251639656019662,14.401696109135939]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.6899041871704761,0.48842070028551604],"properties":{"magmom":0.005},"label":"I","xyz":[1.1630535081759166,5.999675239748501,7.669505023392214]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.30956706368277703,0.5113792275315561],"properties":{"magmom":-0.001},"label":"I","xyz":[3.4891605245277497,2.535654950488186,7.847863367309586]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.06046111266827801,0.6866521907985891],"properties":{"magmom":-0.017},"label":"I","xyz":[1.1630535081759166,0.18106329768405247,10.380932061007321]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.9515116418275361,0.317035818596608],"properties":{"magmom":0.007},"label":"I","xyz":[3.4891605245277497,8.465641812868206,5.2005828181163505]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.352946621766271,0.8738731024159351],"properties":{"magmom":-0.019},"label":"I","xyz":[1.1630535081759166,2.735256779000979,13.333169139845156]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6458382735016951,0.11725311479487001],"properties":{"magmom":0.006},"label":"I","xyz":[3.4891605245277497,5.7984885180631105,2.0531026728494957]}]} | false | -36.787642 | -36.787642 | -1.786202 | 0 | true | -0.009855 | 0.4283 | 4.6235 | 4.1952 | 4.305727 | false | false | true | FM | 7.999707 | 0.012543 | 7.999707 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-32502 | LiV(PO3)4 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.050962,8.482309,0.0],[-6.050962,8.482309,0.0],[0.0,0.941044,5.160944]],"pbc":[true,true,true],"a":10.419390917751624,"b":10.419390917751624,"c":5.246037245490352,"alpha":81.60291093298281,"beta":81.60291093298281,"gamma":71.00528073204616,"volume":529.7825594629488},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42918000000000006,0.42918000000000006,0.59755],"properties":{"magmom":0.0},"label":"Li","xyz":[-7.731198007121521e-17,7.843195595440002,3.0839220872]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.57082,0.57082,0.40245000000000003],"properties":{"magmom":0.0},"label":"Li","xyz":[1.855053232446835e-16,10.06246640456,2.0770219128000003]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":1.897},"label":"V","xyz":[-3.025481,4.2411545,0.0]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":1.897},"label":"V","xyz":[3.025481,4.2411545,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30353,0.060850999999999,0.530041],"properties":{"magmom":0.005},"label":"P","xyz":[1.4684414071980063,3.589584138532992,2.735511918704]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.784760999999999,0.366577999999999,0.821973],"properties":{"magmom":0.003},"label":"P","xyz":[2.530409442046,10.539525921562985,4.242156622512]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.69647,0.939149,0.469958999999999],"properties":{"magmom":0.005},"label":"P","xyz":[-1.4684414071979996,14.316077861467,2.4254320812959946]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.939149,0.69647,0.469958999999999],"properties":{"magmom":0.005},"label":"P","xyz":[1.4684414071979994,14.316077861467,2.4254320812959946]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.060850999999999,0.30353,0.530041],"properties":{"magmom":0.005},"label":"P","xyz":[-1.4684414071980063,3.5895841385329916,2.735511918704]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.366577999999999,0.784760999999999,0.821973],"properties":{"magmom":0.003},"label":"P","xyz":[-2.530409442046,10.539525921562985,4.242156622512]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.633421999999999,0.21523899999999901,0.178027],"properties":{"magmom":0.003},"label":"P","xyz":[2.5304094420460004,7.366136078436984,0.9187873774879999]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21523899999999901,0.633421999999999,0.178027],"properties":{"magmom":0.003},"label":"P","xyz":[-2.530409442046,7.366136078436984,0.9187873774879999]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.668964999999999,0.9223500000000001,0.761084],"properties":{"magmom":-0.007},"label":"O","xyz":[-1.5332230063700067,14.214239078030994,3.9279119032959997]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.910978,0.293018,0.620033],"properties":{"magmom":0.002},"label":"O","xyz":[3.7392524775199996,10.796144441216,3.1999555911519995]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.231845,0.768154999999999,0.0],"properties":{"magmom":-0.001},"label":"O","xyz":[-3.2451914302199945,8.482308999999992,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.331034999999999,0.07765000000000001,0.238916],"properties":{"magmom":-0.007},"label":"O","xyz":[1.533223006369994,3.691422921968992,1.2330320967039998]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07765000000000001,0.331034999999999,0.238916],"properties":{"magmom":-0.007},"label":"O","xyz":[-1.533223006369994,3.691422921968992,1.2330320967039998]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.903061,0.604646,0.315562],"properties":{"magmom":0.005},"label":"O","xyz":[1.8056978252300002,13.085794382191,1.628597810528]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9223500000000001,0.668964999999999,0.761084],"properties":{"magmom":-0.007},"label":"O","xyz":[1.533223006370007,14.214239078030994,3.9279119032959997]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.293018,0.910978,0.620033],"properties":{"magmom":0.002},"label":"O","xyz":[-3.73925247752,10.796144441216,3.1999555911519995]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.089021999999999,0.706982,0.379967],"properties":{"magmom":0.002},"label":"O","xyz":[-3.7392524775200062,7.109517558783992,1.9609884088479999]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.167615,0.553953,0.010524],"properties":{"magmom":-0.008},"label":"O","xyz":[-2.3377165571560004,6.130466287568001,0.054313774656]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.853081,0.853081,0.392258999999999],"properties":{"magmom":-0.001},"label":"O","xyz":[2.7144225651909438e-16,14.841326266454,2.024426732495995]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.096939,0.395354,0.684438],"properties":{"magmom":0.005},"label":"O","xyz":[-1.80569782523,4.819867617809001,3.532346189472]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.832384999999999,0.446046999999999,0.989475999999999],"properties":{"magmom":-0.008},"label":"O","xyz":[2.3377165571560004,11.775195712431984,5.106630225343995]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.56177,0.337298999999999,0.317477],"properties":{"magmom":-0.001},"label":"O","xyz":[1.358265491102006,7.924940896308992,1.638481018288]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.446046999999999,0.832384999999999,0.989475999999999],"properties":{"magmom":-0.008},"label":"O","xyz":[-2.3377165571560004,11.775195712431984,5.106630225343995]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.706982,0.089021999999999,0.379967],"properties":{"magmom":0.002},"label":"O","xyz":[3.739252477520006,7.109517558783992,1.9609884088479999]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.553953,0.167615,0.010524],"properties":{"magmom":-0.008},"label":"O","xyz":[2.3377165571560004,6.130466287568001,0.054313774656]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.768154999999999,0.231845,0.0],"properties":{"magmom":-0.001},"label":"O","xyz":[3.245191430219994,8.482308999999992,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.395354,0.096939,0.684438],"properties":{"magmom":0.005},"label":"O","xyz":[1.8056978252299998,4.819867617809001,3.532346189472]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43823,0.662701,0.682523],"properties":{"magmom":-0.001},"label":"O","xyz":[-1.3582654911019998,9.980721103691,3.5224629817119997]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.604646,0.903061,0.315562],"properties":{"magmom":0.005},"label":"O","xyz":[-1.8056978252299998,13.085794382191,1.628597810528]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.337298999999999,0.56177,0.317477],"properties":{"magmom":-0.001},"label":"O","xyz":[-1.358265491102006,7.924940896308993,1.638481018288]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.662701,0.43823,0.682523],"properties":{"magmom":-0.001},"label":"O","xyz":[1.3582654911020002,9.980721103691,3.5224629817119997]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.146919,0.146919,0.607741],"properties":{"magmom":-0.001},"label":"O","xyz":[7.527979281718445e-18,3.064335733546,3.136517267504]}]} | false | -7.19907 | -7.751515 | -2.638723 | 0.033246 | false | null | 2.244 | 2.8045 | 0.5605 | 0.635052 | false | false | true | FM | 3.999995 | 0.00755 | 1.999998 | 2 | 1 | [
"O2-",
"P5+",
"V3+",
"Li+"
] | true | null | null | null | null | null | null | null | true | false | false | true | true |
mp-3250218 | BaLi2La4O8 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.3393600059737985,0.005461120391606,3.404118161665162],[5.245216688927654,3.560229460482829,3.4041181614988902],[-0.021869016240225,-0.006731429321855001,10.041863919929105]],"pbc":[true,true,true],"a":7.195521910727161,"b":7.195523079147312,"c":10.041889989060126,"alpha":61.88986258581105,"beta":61.88985686480073,"gamma":29.956051715060216,"volume":226.64267224445703},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Ba","xyz":[5.792288347450726,1.7828452904372174,3.4041181615820264]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.186871717872605,0.186871717873167,0.742680807536203],"properties":{"magmom":0.0},"label":"Li","xyz":[2.148588049164814,0.6613274208875451,8.730166422615856]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8131282821273941,0.8131282821268321,0.25731919246379603],"properties":{"magmom":0.0},"label":"Li","xyz":[9.414119629496401,2.897631730665031,8.119933820477284]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6111995929693841,0.6111995929700661,0.56215870874896],"properties":{"magmom":-0.0},"label":"La","xyz":[7.068194702718743,2.1755645000720403,9.806312524219681]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.388800407030615,0.388800407029933,0.43784129125103904],"properties":{"magmom":-0.0},"label":"La","xyz":[4.494512975942474,1.3833946514805362,7.0437877188734594]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16449878983204502,0.16449878983232902,0.18703684897995002],"properties":{"magmom":-0.0},"label":"La","xyz":[1.9015585351414275,0.5852927601408863,2.998145221521014]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8355012101679541,0.8355012101676701,0.812963151020049],"properties":{"magmom":-0.0},"label":"La","xyz":[9.661149143519792,2.9736663914116903,13.851955021572127]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.046329850248973,0.046329850248213005,0.750747671986928],"properties":{"magmom":-0.0},"label":"O","xyz":[0.5202935904375472,0.16014430575085317,7.854330529605525]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.953670149751026,0.9536701497517861,0.249252328013071],"properties":{"magmom":-0.0},"label":"O","xyz":[11.04241408822367,3.3988148458017235,8.995769713487617]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.238723250041793,0.23872325004128903,0.375156850376932],"properties":{"magmom":0.0},"label":"O","xyz":[2.757303487709119,0.8486879022850375,5.3925583422309495]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.761276749958206,0.7612767499587101,0.6248431496230681],"properties":{"magmom":0.0},"label":"O","xyz":[8.805404190952098,2.710271249267539,11.457541900862202]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8139707332832621,0.813970733283873,0.06770243372722701],"properties":{"magmom":-0.0},"label":"O","xyz":[9.428025801505644,2.901912042630207,6.221563738870496]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.186029266716737,0.18602926671612602,0.932297566272772],"properties":{"magmom":-0.0},"label":"O","xyz":[2.1346818771555713,0.6570471089223693,10.628536504222646]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.582153839915683,0.582153839915442,0.34275824593633003],"properties":{"magmom":0.0},"label":"O","xyz":[6.736510021086495,2.073473210699373,7.405372581708783]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.417846160084316,0.41784616008455805,0.657241754063669],"properties":{"magmom":0.0},"label":"O","xyz":[4.826197657574727,1.485485940853207,9.444727661384361]}]} | false | -16.492206 | -16.492206 | -3.290047 | 0 | true | -0.030796 | 3.5473 | 8.1325 | 4.5852 | 6.35885 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"O2-",
"La3+",
"Li+",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250219 | TbNd2(AlI)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.515257471624201,0.029525424642982002,4.976000157554003],[7.4522349071930725,4.120034850922609,4.976000156811997],[-0.039613607050019005,-0.010294233844658001,12.138141829274094]],"pbc":[true,true,true],"a":9.862609143970452,"b":9.86260968736961,"c":12.138210835073156,"alpha":59.88688922744672,"beta":59.886888220125826,"gamma":24.744555829981422,"volume":424.0343445469965},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831268179233653,0.831268179233497,0.390086938817425],"properties":{"magmom":-0.001},"label":"Tb","xyz":[13.257815565955847,3.445381768721129,13.007711770168262]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16873182076634602,0.168731820766502,0.609913061182574],"properties":{"magmom":-0.001},"label":"Tb","xyz":[2.670063205811394,0.6938842729998008,9.08243037347181]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7556588429168081,0.7556588429144211,0.7971434239088351],"properties":{"magmom":-0.0},"label":"Nd","xyz":[12.034399088884992,3.1274459356241624,17.196156979928247]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244341157083191,0.24434115708557802,0.202856576091164],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.8934796828822478,1.0118201060967669,4.893985163711828]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5349066556592701,0.5349066556581611,0.312044170950166],"properties":{"magmom":0.0},"label":"Nd","xyz":[8.528756752439497,2.216415153789157,9.111027609263369]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.465093344340729,0.465093344341838,0.6879558290498331],"properties":{"magmom":0.0},"label":"Nd","xyz":[7.399122019327743,1.9228508879317725,12.979114534376706]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.926485954672649,0.9264859546724791,0.527046405115996],"properties":{"magmom":-0.0},"label":"Al","xyz":[14.772779211126112,3.8390837744371367,15.617752528064052]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07351404532735001,0.07351404532752001,0.472953594884003],"properties":{"magmom":-0.0},"label":"Al","xyz":[1.155099560641127,0.3001822672837927,6.472389615576021]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.336165203543259,0.33616520354036,0.579546213803247],"properties":{"magmom":0.0},"label":"Al","xyz":[5.344757409598014,1.3889717903899081,10.380130351089619]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.66383479645674,0.663834796459639,0.42045378619675206],"properties":{"magmom":0.0},"label":"Al","xyz":[10.583121362169226,2.750294251331021,11.710011792550455]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42203445531013906,0.422034455309415,0.17439079142583502],"properties":{"magmom":-0.0},"label":"I","xyz":[6.731923700472865,1.7494621910846393,6.316867191962326]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5779655446898601,0.577965544690584,0.8256092085741641],"properties":{"magmom":-0.0},"label":"I","xyz":[9.195955071294376,2.38980385063629,15.773274951677747]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8595169338323241,0.8595169338318911,0.9390865635400941],"properties":{"magmom":-0.0},"label":"I","xyz":[13.687129484314768,3.556950148119309,19.952678693915313]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.140483066167675,0.14048306616810802,0.060913436459905004],"properties":{"magmom":-0.0},"label":"I","xyz":[2.2407492874524717,0.5823158936016207,2.1374634497247587]}]} | false | -22.790363 | -22.790363 | -0.984075 | 0 | true | -0.026993 | 0 | null | null | 4.976334 | false | true | false | NM | 0.004656 | 0.000011 | 0.002328 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250220 | Ca7CeAs6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.307087025346654,-0.020469055703932003,-2.595978723451115],[-3.67126793260545,6.317888500500171,-2.595981259715063],[-0.011818702211953,-0.020467498439648003,7.754514574554234]],"pbc":[true,true,true],"a":7.754549974746549,"b":7.7545497637529675,"c":7.754550592212833,"alpha":109.64528847439044,"beta":109.64528783404836,"gamma":109.64527705961973,"volume":356.62945071102854},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.140750867979683,0.14075086797966202,0.14075086797966202],"properties":{"magmom":0.0},"label":"Ca","xyz":[0.5100812005257794,0.8834864347163187,0.36068178298308246]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49189739481118905,0.0024568801758060002,0.8667682052548781],"properties":{"magmom":0.0},"label":"Ca","xyz":[3.575073130718273,-0.012286957053768411,5.4380334944645305]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.866768205254906,0.49189739481111106,0.002456880175863],"properties":{"magmom":0.0},"label":"Ca","xyz":[4.527634537763766,3.0899606812361853,-3.508016324506288]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002456880175778,0.866768205254913,0.491897394811083],"properties":{"magmom":0.0},"label":"Ca","xyz":[-3.1699992685271896,5.466026677401248,1.5579334912267995]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36056267245469004,0.498993335386735,0.9992509972545701],"properties":{"magmom":0.0},"label":"Ca","xyz":[0.7909147449572752,3.12475170981172,5.5173160482986905]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9992509972544211,0.36056267245469004,0.49899333538676405],"properties":{"magmom":0.0},"label":"Ca","xyz":[5.971994366388374,2.2473278923726623,0.339402822957149]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49899333538678503,0.999250997254513,0.36056267245460505],"properties":{"magmom":0.0},"label":"Ca","xyz":[-0.02659179895976909,6.295562646353834,-1.0934244458428448]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.645008132955709,0.645008132955688,0.645008132955688],"properties":{"magmom":-0.0},"label":"Ce","xyz":[2.3375097257261097,4.048685055572037,1.6528685525881812]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62660512391583,0.38312733306385305,0.260712221122233],"properties":{"magmom":0.0},"label":"As","xyz":[3.169013798894662,2.4023936296265975,-0.5995482279525558]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.260712221122403,0.626605123915808,0.38312733306380403],"properties":{"magmom":0.0},"label":"As","xyz":[-0.39991647738429253,3.945643115673648,0.6675079502490495]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7447955531234811,0.8684878599415381,0.110583422559862],"properties":{"magmom":0.0},"label":"As","xyz":[2.2525273401631574,5.469500835455027,-3.3305308559832953]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11058342255985501,0.74479555312358,0.8684878599414461],"properties":{"magmom":0.0},"label":"As","xyz":[-1.9365657377155396,4.685495948148617,4.514154257379643]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38312733306372504,0.260712221122318,0.626605123915936],"properties":{"magmom":0.0},"label":"As","xyz":[1.8349946880768575,1.6264834496503455,3.187624120678261]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8684878599415591,0.11058342255979801,0.744795553123601],"properties":{"magmom":0.0},"label":"As","xyz":[5.931332483077348,0.6656325055317525,3.2338794731758798]}]} | false | -13.459046 | -13.459046 | -1.433769 | 0 | true | -0.025513 | 0.4885 | 4.0924 | 3.6039 | 3.626221 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"As3-",
"Ca2+",
"Ce4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250221 | La2Pr3IrOs | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.044085262793555,-0.069756463333821,0.851554302304349],[6.523781206200559,6.264236297962529,0.8515542911848321],[-0.06169138115251101,-0.024547365834130003,7.344070104185241]],"pbc":[true,true,true],"a":9.084354073605313,"b":9.084355911891729,"c":7.344370231331297,"alpha":85.10110154187433,"beta":85.10109892687396,"gamma":44.07398370413251,"volume":419.8005962895474},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.024100327736839,0.790594172857019,0.904268183580157],"properties":{"magmom":0.0},"label":"La","xyz":[5.319843272352205,4.928590159025986,7.33476553145029]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.209405827143463,0.9758996722639851,0.595731816415487],"properties":{"magmom":0.0},"label":"La","xyz":[8.223688577713194,6.084035093426188,5.384448209762833]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9834865467226451,0.20211587753985302,0.09364776612292701],"properties":{"magmom":0.0},"label":"La","xyz":[10.207518686705255,1.1951982672693637,1.6973606024628851]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7978841224629251,0.016513453276061,0.406352233878905],"properties":{"magmom":0.0},"label":"La","xyz":[7.298793758973348,0.037811721940845144,3.6777830518220993]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.352147083717582,0.21387554667147401,0.8225292606284561],"properties":{"magmom":0.0},"label":"Pr","xyz":[4.5293825559006216,1.2950115009026457,6.522711556530267]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7861244533285681,0.6478529162827721,0.6774707393720331],"properties":{"magmom":0.0},"label":"Pr","xyz":[11.294433157096043,3.9868363702337017,6.196502194778218]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6454661608898811,0.7847950721301511,0.17547657847536102],"properties":{"magmom":-0.0},"label":"Pr","xyz":[10.946656943131536,4.86680885294732,2.5066573916364034]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.215204927869862,0.35453383910878905,0.324523421524041],"properties":{"magmom":-0.0},"label":"Pr","xyz":[4.239212615078263,2.197905613991178,2.868486252390615]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.56784761369601,0.432152386302242,0.7500000000017191],"properties":{"magmom":0.0},"label":"Pr","xyz":[7.908661314649373,2.649083098906006,6.35960687564909]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.430417427182874,0.569582572817914,0.24999999999885603],"properties":{"magmom":-0.0},"label":"Pr","xyz":[7.5931411486749605,3.531838588396838,2.687571822009446]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.828489384756764,0.39268673714325003,0.42288063877292303],"properties":{"magmom":0.0},"label":"Ir","xyz":[10.028642900090345,2.3917094174068425,4.145562832959793]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607313262859811,0.171510615240407,0.07711936122450401],"properties":{"magmom":0.0},"label":"Ir","xyz":[6.6067330589912086,1.030125918949147,1.2295808174492258]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16638440322550702,0.61427154158919,0.576530026038078],"properties":{"magmom":-0.0},"label":"Os","xyz":[5.476600934111729,3.8221834066419658,4.898847849987407]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38572845840727804,0.833615596776887,0.9234699739665331],"properties":{"magmom":-0.0},"label":"Os","xyz":[8.869916691423189,5.172389271523981,7.820365894832243]}]} | false | -36.538778 | -36.538778 | -0.389348 | 0 | true | -0.00207 | 0 | null | null | 5.813686 | false | true | false | NM | 0.001123 | 0.000003 | 0.000561 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250222 | Li2Nd2Si2Sb | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.766461098332233,-0.004009876008191001,0.0],[-8.720937997426354,4.396479015103669,0.0],[0.0,0.0,6.894907680164742]],"pbc":[true,true,true],"a":9.766461921511928,"b":9.76646237310121,"c":6.894907680164742,"alpha":90.0,"beta":90.0,"gamma":153.26951981534995,"volume":295.8127164336986},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18580125926578,0.81419874073439,0.057464824181138005],"properties":{"magmom":-0.0},"label":"Li","xyz":[-5.285955964886849,3.578862637750757,0.396214657585845]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18580125926578,0.81419874073439,0.44253517581886104],"properties":{"magmom":-0.0},"label":"Li","xyz":[-5.285955964886849,3.578862637750757,3.0512391824965195]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.814198740734219,0.185801259265609,0.942535175818861],"properties":{"magmom":-0.0},"label":"Li","xyz":[6.331479065792727,0.8136065013447166,6.49869302257889]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.814198740734219,0.185801259265609,0.5574648241811381],"properties":{"magmom":-0.0},"label":"Li","xyz":[6.331479065792727,0.8136065013447166,3.8436684976682165]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35205503570955404,0.647944964290267,0.25],"properties":{"magmom":0.0},"label":"Nd","xyz":[-2.2123560485907277,2.8472647414030003,1.7237269200411856]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.647944964290445,0.352055035709732,0.75],"properties":{"magmom":0.0},"label":"Nd","xyz":[3.257879149496605,1.5452043976924732,5.171180760123557]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5466837720937641,0.45331622790596504,0.25],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.385823076448155,1.9908031490527414,1.7237269200411856]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45331622790623505,0.5466837720940341,0.75],"properties":{"magmom":-0.0},"label":"Nd","xyz":[-0.34029997554227764,2.4016659900427326,5.171180760123557]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05710055235959201,0.942899447640357,0.92437260613795],"properties":{"magmom":0.0},"label":"Si","xyz":[-7.665297297365873,4.145208668768709,6.37346378139445]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9428994476404071,0.057100552359642,0.075627393862049],"properties":{"magmom":0.0},"label":"Si","xyz":[8.710820398271752,0.24726047032676451,0.5214438987702855]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9428994476404071,0.057100552359642,0.42437260613795],"properties":{"magmom":0.0},"label":"Si","xyz":[8.710820398271752,0.24726047032676451,2.926009941312079]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05710055235959201,0.942899447640357,0.5756273938620491],"properties":{"magmom":0.0},"label":"Si","xyz":[-7.665297297365873,4.145208668768709,3.9688977388526574]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.718647000727891,0.281352999272428,0.25],"properties":{"magmom":-0.0},"label":"Sb","xyz":[4.564975913997297,1.2340808717711305,1.7237269200411856]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.281352999272108,0.718647000727571,0.75],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-3.5194528130914193,3.158388267324343,5.171180760123557]}]} | false | -16.137313 | -16.137313 | -0.871131 | 0 | true | -0.02379 | 0 | null | null | 5.738538 | false | true | false | NM | 0.00001 | 0 | 0.000005 | 0 | 0 | [
"Nd3+",
"Nd2+",
"Si2-",
"Li+",
"Sb3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250223 | Tb2Zn4Ru | 129 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.921172399005649,0.0,0.0],[0.0,6.921172399005649,0.0],[0.0,0.0,5.279803116013528]],"pbc":[true,true,true],"a":6.921172399005649,"b":6.921172399005649,"c":5.279803116013528,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":252.91644128903977},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.7668651254358131],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,3.4605861995028246,4.048896878838111]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.23313487456418602],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.4605861995028246,0.0,1.2309062371754123]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.4605861995028246,3.4605861995028246,0.0]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18682933394893503,0.6868293339489351,0.293080973522997],"properties":{"magmom":0.0},"label":"Zn","xyz":[1.2930780294519781,4.753664228954803,1.547409837250998]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.813170666051064,0.6868293339489351,0.293080973522997],"properties":{"magmom":0.0},"label":"Zn","xyz":[5.628094369553665,4.753664228954803,1.547409837250998]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.813170666051064,0.31317066605106403,0.293080973522997],"properties":{"magmom":0.0},"label":"Zn","xyz":[5.628094369553665,2.16750817005084,1.547409837250998]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31317066605106403,0.18682933394893503,0.7069190264770021],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.16750817005084,1.2930780294519781,3.7323932787625256]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18682933394893503,0.31317066605106403,0.293080973522997],"properties":{"magmom":0.0},"label":"Zn","xyz":[1.2930780294519781,2.16750817005084,1.547409837250998]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6868293339489351,0.18682933394893503,0.7069190264770021],"properties":{"magmom":0.0},"label":"Zn","xyz":[4.753664228954803,1.2930780294519781,3.7323932787625256]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6868293339489351,0.813170666051064,0.7069190264770021],"properties":{"magmom":0.0},"label":"Zn","xyz":[4.753664228954803,5.628094369553665,3.7323932787625256]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31317066605106403,0.813170666051064,0.7069190264770021],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.16750817005084,5.628094369553665,3.7323932787625256]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.4605861995028246,3.4605861995028246,2.639901558006764]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.0,0.0,2.639901558006764]}]} | false | -18.079198 | -18.079198 | -0.433511 | 0 | true | -0.034999 | 0 | null | null | 4.262556 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250224 | GdEr(ZnP)6 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.968759078393877,-1.4871466000000001e-9,0.0],[-1.984380041959424,3.437045580244166,0.0],[0.0,0.0,19.774582873188244]],"pbc":[true,true,true],"a":3.968759078393877,"b":3.9687588074362545,"c":19.774582873188244,"alpha":90.0,"beta":90.0,"gamma":120.00001066099398,"volume":269.74124566861616},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-6.9030000000000005},"label":"Gd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.001},"label":"Er","xyz":[0.0,0.0,9.887291436594122]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7498836724818291],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.319554677120074e-6,2.2913648653489087,14.82863682674268]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.25011632751817103],"properties":{"magmom":0.0},"label":"Zn","xyz":[1.9843813559891281,1.1456807134081075,4.945946046445567]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.129725192977503],"properties":{"magmom":0.008},"label":"Zn","xyz":[-2.319554677120074e-6,2.2913648653489087,2.565261579273971]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.870274807022497],"properties":{"magmom":0.008},"label":"Zn","xyz":[1.9843813559891281,1.1456807134081075,17.209321293914275]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6281416165911861],"properties":{"magmom":0.001},"label":"Zn","xyz":[1.9843813559891281,1.1456807134081075,12.421238453380845]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.37185838340881305],"properties":{"magmom":0.001},"label":"Zn","xyz":[-2.319554677120074e-6,2.2913648653489087,7.3533444198073825]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.583166473439646],"properties":{"magmom":0.001},"label":"P","xyz":[-2.319554677120074e-6,2.2913648653489087,11.53187375789721]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.41683352656035305],"properties":{"magmom":0.001},"label":"P","xyz":[1.9843813559891281,1.1456807134081075,8.242709115291014]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.08596303534704201],"properties":{"magmom":0.023},"label":"P","xyz":[1.9843813559891281,1.1456807134081075,1.6998831665008927]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.914036964652957],"properties":{"magmom":0.023},"label":"P","xyz":[-2.319554677120074e-6,2.2913648653489087,18.074699706687333]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.250867686342424],"properties":{"magmom":0.003},"label":"P","xyz":[-2.319554677120074e-6,2.2913648653489087,4.960803853783259]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.749132313657575],"properties":{"magmom":0.003},"label":"P","xyz":[1.9843813559891281,1.1456807134081075,14.813779019404967]}]} | false | -13.921021 | -13.921021 | -0.721127 | 0 | true | -0.014458 | 0.2325 | 4.3281 | 4.0956 | 4.118688 | false | false | true | FM | 7.000006 | 0.025951 | 7.000006 | 1 | 1 | [
"P3-",
"Er3+",
"Zn2+",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250225 | USn(PO5)2 | 2 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.171299082011914,0.353237698145946,-2.039865564073326],[-0.843688798597609,4.847518494660308,-1.589101988577605],[-0.137285537207388,-0.20284485911753802,7.6487181688821755]],"pbc":[true,true,true],"a":5.570292863620448,"b":5.170637434113334,"c":7.652638955457459,"alpha":109.21399914162394,"beta":112.60353491458443,"gamma":88.82441247990928,"volume":190.72083636403534},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.0},"label":"U","xyz":[-0.4218443992988045,2.423759247330154,-0.7945509942888025]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-0.4904871679024985,2.3223368177713852,3.0298080901522852]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35921627190940303,0.097387996234971,0.735484725205488],"properties":{"magmom":0.0},"label":"P","xyz":[1.6744782000198632,0.4497895464653678,4.738003019011158]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.640783728090589,0.902612003765028,0.26451527479451103],"properties":{"magmom":0.0},"label":"P","xyz":[2.5158465461870136,4.548121787223342,-0.7182524027799032]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24150834339086902,0.20523115714497903,0.895242962621516],"properties":{"magmom":-0.0},"label":"O","xyz":[0.9528567350143462,0.8985762486143244,6.028683320710497]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32327882634252303,0.7826886240396571,0.6564993275716581],"properties":{"magmom":-0.0},"label":"O","xyz":[0.9212980101449803,3.775124335456991,3.11816094030763]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.934115595860554,0.580868662784162,0.761706856634624],"properties":{"magmom":-0.0},"label":"O","xyz":[4.235947404111691,2.9912281086759256,2.9975512897108727]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22941896263198902,0.205209365646702,0.5616374537915401],"properties":{"magmom":-0.0},"label":"O","xyz":[0.9361565281319258,0.9618703513315745,3.501724144497733]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7705810373680101,0.7947906343532971,0.43836254620845905],"properties":{"magmom":-0.0},"label":"O","xyz":[3.2541682180749874,4.036040982357138,0.5180264717335076]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.652974538138501,0.19564981137708,0.837577031015435],"properties":{"magmom":0.0},"label":"O","xyz":[3.096671862690683,1.0091731070707408,4.763502876076583]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.347025461861498,0.8043501886229191,0.16242296898456401],"properties":{"magmom":0.0},"label":"O","xyz":[1.0936528835162294,3.988738226617971,-0.7437522598453428]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.065884404139446,0.419131337215837,0.23829314336537502],"properties":{"magmom":-0.0},"label":"O","xyz":[-0.04562265790477243,2.0066832250127864,1.0221993265203657]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6767211736574761,0.21731137596034203,0.34350067242834104],"properties":{"magmom":-0.0},"label":"O","xyz":[3.269026736061933,1.222786998231721,0.9015896759236111]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7584916566091231,0.79476884285502,0.104757037378483],"properties":{"magmom":-0.0},"label":"O","xyz":[3.2374680111925307,4.099335085074385,-2.0089327044792427]}]} | false | -15.613084 | -15.613084 | -2.583248 | 0 | true | -0.023059 | 2.1446 | 3.7414 | 1.5968 | 1.696941 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"O2-",
"Sn4+",
"P5+",
"U6+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250226 | ErTm(Si2Rh3)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.97996441763065,-0.001632476181908,-2.680442103094043],[-1.498133524812022,4.763508404001553,-4.243740509711356],[0.0032694938063140004,0.0016324780804920001,6.553222922092155]],"pbc":[true,true,true],"a":6.55322416594659,"b":6.553224388568143,"c":6.553223941023875,"alpha":130.35438469255658,"beta":114.11511084561515,"gamma":86.78490182828584,"volume":186.7462824833097},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24999999999993602,0.9520613506904421,0.7020613506892911],"properties":{"magmom":0.0},"label":"Er","xyz":[0.0709714624978444,4.535890225859674,-0.1096473113768362]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7500000000000641,0.049703260481962004,0.29970326048323404],"properties":{"magmom":-0.0},"label":"Tm","xyz":[4.411491070356761,0.23602680087906405,-0.2572370408682564]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.578112654255399,0.38523923058533405,0.80712657632938],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.882592190758839,1.8354641737498396,2.10482755346882]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.921887345744494,0.729013922073647,0.807126576328244],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.423332223245026,3.4724766017416586,-0.27553118806663746]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42187703273667404,0.614911231079837,0.19303419834371702],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.6022216384326675,2.9287612368536897,-2.4753445287520197]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07812296726343901,0.27115616560738603,0.19303419834486102],"properties":{"magmom":-0.0},"label":"Si","xyz":[0.06157554639507906,1.291842263881886,-0.09512436177639784]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.213462589031287,0.49900148126791005,0.713279387804107],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.5312599014246937,2.377813690002448,1.9844719224762095]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.785722093463846,0.49900148126762606,0.285539892236222],"properties":{"magmom":0.0},"label":"Rh","xyz":[3.9519528839512965,2.3761812146395633,-2.352508814138949]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5003234553240711,0.500138639700345,0.500461095024455],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.244278251405479,2.382414839022198,-0.18391354105481844]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999676544675914,0.500138639700324,0.999815184376259],"properties":{"magmom":0.0},"label":"Rh","xyz":[5.232024592665764,2.38241484160264,1.749978078517205]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7142779065361601,0.999817798772731,0.7132793878040431],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.7758279648813566,4.762638858220412,-1.4832690349583548]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28653741096871205,0.999817798772454,0.28553989223616505],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.21655652977725656,4.762638859039468,-3.139807668479435]}]} | false | -21.873697 | -21.873697 | -1.127121 | 0 | true | -0.013397 | 0 | null | null | 9.294317 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250227 | HoU(PPt)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.14272707057603,-8.353946000000001e-10,0.0],[-2.071364036802322,3.587706598455464,0.0],[0.0,0.0,15.423742791011094]],"pbc":[true,true,true],"a":4.14272707057603,"b":4.14272707398869,"c":15.423742791011094,"alpha":90.0,"beta":90.0,"gamma":120.00000799350163,"volume":229.241380845784},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":0.051000000000000004},"label":"Ho","xyz":[0.0,0.0,3.8559356977527735]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":0.051000000000000004},"label":"Ho","xyz":[0.0,0.0,11.56780709325832]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":2.309},"label":"U","xyz":[0.0,0.0,7.711871395505547]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.309},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.880361679427316],"properties":{"magmom":-0.029},"label":"P","xyz":[-2.405706552907148e-6,2.39180559459403,13.578472106549485]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.119638320572683],"properties":{"magmom":-0.029},"label":"P","xyz":[2.0713654394802594,1.1959010030260362,1.8452706844615938]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.380361679427316],"properties":{"magmom":-0.029},"label":"P","xyz":[2.0713654394802594,1.1959010030260362,5.866600711043938]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6196383205726831],"properties":{"magmom":-0.029},"label":"P","xyz":[-2.405706552907148e-6,2.39180559459403,9.557142079967141]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.365379771606036],"properties":{"magmom":-0.044},"label":"Pt","xyz":[-2.405706552907148e-6,2.39180559459403,5.635523618289878]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.634620228393963],"properties":{"magmom":-0.044},"label":"Pt","xyz":[2.0713654394802594,1.1959010030260362,9.7882191727212]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8653797716060361],"properties":{"magmom":-0.044},"label":"Pt","xyz":[2.0713654394802594,1.1959010030260362,13.347395013795426]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.134620228393963],"properties":{"magmom":-0.044},"label":"Pt","xyz":[-2.405706552907148e-6,2.39180559459403,2.076347777215654]}]} | false | -40.230972 | -40.230972 | -1.263811 | 0.004861 | false | null | 0 | null | null | 9.157213 | false | true | true | FM | 4.86881 | 0.021239 | 2.434405 | 4 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250228 | K6TmAlSb4 | 23 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.195001808937175,-0.007840895190109,3.003325416501804],[-5.541883391584703,5.448972572345865,-5.7588465956433055],[0.36159893319254804,0.007840902109903,9.666295826631794]],"pbc":[true,true,true],"a":9.673059666072625,"b":9.673059894999739,"c":9.67306002649581,"alpha":128.01683442232616,"beta":69.76934276058097,"gamma":136.8786360756092,"volume":478.27684855105576},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8048184189375931,0.18089081233829002,0.004364218233128],"properties":{"magmom":0.0},"label":"K","xyz":[6.39940912606661,0.9793927975586987,1.4175949989399521]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.695182581062297,0.699546799295461,0.376070393400731],"properties":{"magmom":0.0},"label":"K","xyz":[2.6513849548166886,3.8093091998182937,1.6944844854471488]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"K","xyz":[5.69157997540298,1.360282922748836,5.645930326781423]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.499999000000002],"properties":{"magmom":-0.0},"label":"K","xyz":[-1.6768629864568918,4.088689648675921,1.2648346544130618]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.323474405894877,0.31911018766174204,0.6239286065992851],"properties":{"magmom":0.0},"label":"K","xyz":[1.4314882167948004,1.741178494339583,5.164870773047845]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17652559410523502,0.800454200704514,0.9956357817668501],"properties":{"magmom":0.0},"label":"K","xyz":[-2.4528498469519873,4.368075549078129,5.544580856881947]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.0],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.913279604338118,1.360282919288939,-0.6888802947853754]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.0],"properties":{"magmom":0.0},"label":"Al","xyz":[2.739838813014354,4.080848757866817,-2.066640884356126]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.418843630344426,0.7101267017852131,0.092497513235926],"properties":{"magmom":0.0},"label":"Sb","xyz":[-0.05072443375641085,3.8669020758581745,-1.9374786923316316]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08115536965532001,0.17365488289116301,0.291284071440685],"properties":{"magmom":0.0},"label":"Sb","xyz":[-0.11082333108755658,0.947888293070639,2.059322157348222]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8823698114508781,0.789872298214881,0.708716928559169],"properties":{"magmom":0.0},"label":"Sb","xyz":[3.9922831267949834,4.3026308994786415,4.9519577747114045]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6176291885493791,0.32634511710874303,0.907501486764218],"properties":{"magmom":0.0},"label":"Sb","xyz":[4.198686491018825,1.780518456833082,8.747747807448343]}]} | false | -15.759707 | -15.759707 | -0.694041 | 0 | true | -0.028571 | 1.2298 | 2.7564 | 1.5266 | 1.554385 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Tm3+",
"K+",
"Sb3-",
"Al3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250229 | Dy2AlZnIr2 | 11 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.08942916518209,0.0,0.0],[0.0,6.888760085694311,-0.042863325249082006],[0.0,-0.047674833016835005,8.03255558793458]],"pbc":[true,true,true],"a":4.08942916518209,"b":6.8888934367506724,"c":8.032697066550078,"alpha":90.69655986503446,"beta":90.0,"gamma":90.0,"volume":226.27754110115433},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.533504042642995,0.18666648803740302],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.0223572912955226,3.666282060868597,1.4765411842634582]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.46649595735700405,0.8133335119625961],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.067071873886568,3.174803191808872,6.513151078422032]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.034352330480722004,0.32295124785982604],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.0223572912955226,0.2212483162518821,2.5926513955124317]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.965647669519277,0.677048752140173],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.067071873886568,6.619836936425587,5.397040867173058]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.13853496412426802,0.9379394697973631],"properties":{"magmom":0.0},"label":"Al","xyz":[1.0223572912955226,0.9096180237298629,7.5281128600395775]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.8614650358757311,0.06206053020263601],"properties":{"magmom":0.0},"label":"Al","xyz":[3.067071873886568,5.931467228947607,0.4615794026459131]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.639895753695086,0.5637414799092041],"properties":{"magmom":0.0},"label":"Zn","xyz":[1.0223572912955226,4.381212046140652,4.500856714779048]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.36010424630491406,0.436258520090795],"properties":{"magmom":0.0},"label":"Zn","xyz":[3.067071873886568,2.4598732065368245,3.4888355479064423]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7421034505074,0.368624210593466],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.067071873886568,5.094598531625395,2.929185441082954]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25789654949259905,0.631375789406533],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.0223572912955226,1.7464867210520747,5.060506821602536]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.23218392266200202,0.110569942201706],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.067071873886568,1.5941879354427868,0.878207032095248]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7678160773379971,0.8894300577982931],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.0223572912955226,5.246897317234683,7.111485230590242]}]} | false | -31.658206 | -31.658206 | -0.93737 | 0 | true | -0.041182 | 0 | null | null | 5.559041 | false | true | false | NM | 0.000001 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250230 | Li2Pr3ThSi6 | 42 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.792618617289968,-0.006317163451297,3.003701612700183],[5.54022475371281,5.472658926700526,2.920749796368994],[0.005189212028675,-0.012622071270637001,5.924453398813144]],"pbc":[true,true,true],"a":8.351477007046475,"b":8.317142864147316,"c":5.924469117086632,"alpha":69.49109777624517,"beta":68.87038008991874,"gamma":41.63853397213861,"volume":252.8554622915578},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6684309668224551,0.665439484986414,0.33456051501369105],"properties":{"magmom":0.0},"label":"Li","xyz":[8.89724800870226,3.6332779033517295,5.933437593574846]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33456051501372003,0.331569033177437,0.668430966822491],"properties":{"magmom":0.0},"label":"Li","xyz":[4.4475380930936685,1.8040137724755376,5.9334382578912415]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755434839095087,0.24456516090493302,0.755434839095073],"properties":{"magmom":-0.0},"label":"Pr","xyz":[7.245681661177006,1.324114353251584,7.458952988450515]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7502670231035461,0.749732976896453,0.7502670231035461],"properties":{"magmom":0.0},"label":"Pr","xyz":[10.004127264112945,4.088823385399448,8.888282721896545]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25026702310354604,0.24973297689645302,0.25026702310354604],"properties":{"magmom":0.0},"label":"Pr","xyz":[3.3351109725972194,1.3619635394101521,2.963830317955384]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24257528062187103,0.7574247193781211,0.24257528062187103],"properties":{"magmom":-0.0},"label":"Th","xyz":[6.087858601805038,4.140532961630878,4.377997802241899]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6657776177015721,0.17021055433222101,0.333921543694131],"properties":{"magmom":0.0},"label":"Si","xyz":[6.132888574821955,0.9230837020283298,4.4752423703712125]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8297894456678631,0.33422238229829304,0.169908715727999],"properties":{"magmom":0.0},"label":"Si","xyz":[8.318781490747414,1.8216985885100032,4.475236119576571]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333921543694273,0.830091284271937,0.6657776177017071],"properties":{"magmom":0.0},"label":"Si","xyz":[7.204470380293039,4.5322935473346675,7.371858098861356]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16990871572798402,0.666078456305854,0.8297894456678421],"properties":{"magmom":0.0},"label":"Si","xyz":[5.018564126334953,3.633673207133243,7.3718525007511815]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8354546092666411,0.836388579819001,0.163611420181268],"properties":{"magmom":0.0},"label":"Si","xyz":[11.145008870057508,4.569926609207737,5.921646365761269]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.163611420181446,0.16454539073289,0.835454609266818],"properties":{"magmom":0.0},"label":"Si","xyz":[2.190915196862711,0.8889220737364435,5.921647702556629]}]} | false | -18.96151 | -18.96151 | -0.702915 | 0 | true | -0.022787 | 0 | null | null | 6.089065 | false | true | false | NM | 0.000128 | 0.000001 | 0.000128 | 0 | 0 | [
"Th3+",
"Pr3+",
"Si2-",
"Li+",
"Pr2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250231 | Tb2Al2IrPd | 11 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.368224737314135,0.0,0.0],[0.0,6.821105513603171,-0.012917422761782002],[0.0,-0.014695760680805001,7.830240492252245]],"pbc":[true,true,true],"a":4.368224737314135,"b":6.821117744733511,"c":7.830254282709386,"alpha":90.21603570700577,"beta":90.0,"gamma":90.0,"volume":233.30997052038515},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.539585624959102,0.8167725604776661],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.0920561843285337,3.668567387390115,6.38855552037899]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.46041437504089805,0.183227439522333],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.276168552985601,3.1378423655322507,1.4287675491114662]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.029590488943128,0.676035654503351],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.0920561843285337,0.19190498908991144,5.293139523242981]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.9704095110568711,0.32396434549664804],"properties":{"magmom":-0.0},"label":"Tb","xyz":[3.276168552985601,6.614504763832449,2.524183546247474]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.635460709952532,0.442631041708324],"properties":{"magmom":0.0},"label":"Al","xyz":[1.0920561843285337,4.328039752476561,3.457698991273352]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.36453929004746705,0.5573689582916751],"properties":{"magmom":0.0},"label":"Al","xyz":[3.276168552985601,2.478370000445799,4.359624078217104]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.13920194068140201,0.06390715283014],"properties":{"magmom":0.0},"label":"Al","xyz":[1.0920561843285337,0.9485719608623895,0.49861024551807265]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.8607980593185971,0.93609284716986],"properties":{"magmom":0.0},"label":"Al","xyz":[3.276168552985601,5.8578377920599705,7.31871282397239]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7323620893874291,0.6213870268000711],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.276168552985601,4.98638733083852,4.856149627886828]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.26763791061257003,0.37861297319992804],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.0920561843285337,1.82002242208384,2.961173441603628]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.23002502919723603,0.879516755724537],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.276168552985601,1.5560998271671111,6.883856383740665]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7699749708027631,0.120483244275462],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.0920561843285337,5.250309925755249,0.9334666857497911]}]} | false | -26.213599 | -26.213599 | -1.007454 | 0 | true | -0.055289 | 0 | null | null | 6.417706 | false | true | false | NM | 0.000002 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250232 | Ho4Th(MnB3)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.113465700490201,1.7173262000000001e-9,1.764896177263884],[2.252157721297307,4.590787460027075,1.7648961747833931],[0.012022041596753,0.007493325262406001,8.255288300327887]],"pbc":[true,true,true],"a":5.4094722465884235,"b":5.409473395119527,"c":8.25530045491611,"alpha":70.87462261083344,"beta":70.87462040158705,"gamma":60.0000188102762,"volume":193.65627784095415},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25062763155204204,0.25062763155203505,0.248117105343887],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.849011627268145,1.1524374106692863,2.9329417339207207]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7493723684479571,0.7493723684479641,0.751882894656112],"properties":{"magmom":0.0},"label":"Ho","xyz":[5.528633836116109,3.4458433763375167,8.852138918454433]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.416280666360108,0.416280666360123,0.7511590009196141],"properties":{"magmom":0.0},"label":"Ho","xyz":[3.0751970909341875,1.9166847424103317,7.670418424400754]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.583719333639891,0.583719333639876,0.248840999080385],"properties":{"magmom":0.0},"label":"Ho","xyz":[4.302448372450066,2.6815960445964713,4.1146622279743985]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11320541979830501,0.11320541979824801,0.6603827406053071],"properties":{"magmom":-0.003},"label":"Mn","xyz":[0.841767640316889,0.5246504844843429,5.851241537271716]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8867945802016941,0.8867945802017511,0.339617259394692],"properties":{"magmom":-0.003},"label":"Mn","xyz":[6.5358778230673655,4.073630302522459,5.933839115103438]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.166006953004867,0.8339930469951541,0.49999999999995703],"properties":{"magmom":-0.0},"label":"B","xyz":[2.7331657613300564,3.832431484811415,5.892540325358798]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8339930469951321,0.499999999999971,0.500000000000127],"properties":{"magmom":-0.0},"label":"B","xyz":[5.3966847217038865,2.2991403940768467,6.4820033780630055]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.16600695300488102,0.499999999999914],"properties":{"magmom":-0.0},"label":"B","xyz":[2.936617712042458,0.7658493016219772,5.303077275140937]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.166006953004867,0.5000000000000281,0.49999999999987205],"properties":{"magmom":-0.0},"label":"B","xyz":[1.9809607416803678,2.2991403929299565,5.303077274312148]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.8339930469951181,0.500000000000085],"properties":{"magmom":-0.0},"label":"B","xyz":[4.4410277513418,3.832431485384826,6.482003377234218]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8339930469951321,0.16600695300484603,0.5000000000000421],"properties":{"magmom":-0.0},"label":"B","xyz":[4.6444797020542,0.7658493021953925,5.892540327016357]}]} | false | -21.945829 | -21.945829 | -0.52695 | 0 | true | -0.027896 | 0 | null | null | 5.716896 | false | true | false | NM | 0.004249 | 0.000022 | 0.004249 | 0 | 0 | [
"Th4+",
"Mn2+",
"Ho2+",
"B3-",
"Ho3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250233 | Tm4Be4Si3Ge | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.845312664592226,0.0,0.0],[-1.922656332296113,3.330139828542809,0.0],[0.0,0.0,15.782839990089514]],"pbc":[true,true,true],"a":3.845312664592226,"b":3.8453138558205455,"c":15.782839990089514,"alpha":90.0,"beta":90.0,"gamma":119.99998975232839,"volume":202.1060346633229},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25051553583428904],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.0,0.0,3.9538466171041198]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.7482713065146881],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,11.809846299896547]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0016425517811380001],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,0.025924131937137586]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49954252816213807],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.0,0.0,7.88419979022781]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.128616283507341],"properties":{"magmom":-0.0},"label":"Be","xyz":[-1.9226563128335297e-6,2.2200943290751356,2.029930222716352]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.871490588190283],"properties":{"magmom":-0.0},"label":"Be","xyz":[1.922658254952424,1.1100454994676703,13.754596506276231]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.627941593210799],"properties":{"magmom":0.0},"label":"Be","xyz":[1.922658254952424,1.1100454994676703,9.91070168876792]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.37200418411823205],"properties":{"magmom":0.0},"label":"Be","xyz":[-1.9226563128335297e-6,2.2200943290751356,5.871282513581855]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6227380545401],"properties":{"magmom":-0.0},"label":"Si","xyz":[-1.9226563128335297e-6,2.2200943290751356,9.828575070546036]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.376468764118058],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.922658254952424,1.1100454994676703,5.941746265342062]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.12414812646537801],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.922658254952424,1.1100454994676703,1.9594100150724583]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.876620483557566],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-1.9226563128335297e-6,2.2200943290751356,13.835560824023961]}]} | false | -17.211367 | -17.211367 | -0.708923 | 0 | true | -0.079773 | 0 | null | null | 4.798752 | false | true | false | NM | 0.000157 | 0.000001 | 0.000157 | 0 | 0 | [
"Ge4-",
"Tm2+",
"Si4-",
"Be2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250234 | Rb4TbPaTe6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.07441496960815,0.004297675805094,1.275147865611997],[-4.339082285990218,6.809446093119889,1.275146883028275],[-0.0008747285414830001,-0.0015964715064980001,8.917420319436685]],"pbc":[true,true,true],"a":8.174484549537317,"b":8.174484127637445,"c":8.917420505245536,"alpha":81.0313483592285,"beta":81.03133725021053,"gamma":119.96949851513271,"volume":490.49937389169804},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49979044617771906,0.50020955382228,0.9999999999999851],"properties":{"magmom":-0.0},"label":"Rb","xyz":[1.8641903174697025,3.406701457818025,10.192567693550783]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6522797798332001,0.34772022016677,0.49999999999977907],"properties":{"magmom":0.0},"label":"Rb","xyz":[3.757553606580907,2.3697871459880924,5.7338576836641035]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34662352096091803,0.653376479039089,0.500000000000142],"properties":{"magmom":-0.0},"label":"Rb","xyz":[-0.036709524086790936,4.4498233522954145,5.733857383334522]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001087418102422,0.998912581897592,0.500000000000085],"properties":{"magmom":0.0},"label":"Rb","xyz":[-4.326020988630916,6.801247815788079,5.733857043815873]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.168028375380487,0.831971624619512,7.1e-15],"properties":{"magmom":-0.0},"label":"Tb","xyz":[-2.2532625093418854,5.665988060335385,1.2751470481302836]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831995352539813,0.168004647460186,0.9999999999999851],"properties":{"magmom":0.0},"label":"Pa","xyz":[5.988015010891869,1.145997765063811,10.192568019969917]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8036970366593861,0.812119611203812,0.20143706986954102],"properties":{"magmom":0.0},"label":"Te","xyz":[2.9653533619982055,5.533217154424519,3.856703371710011]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18788038879621602,0.196302963340613,0.798562930130565],"properties":{"magmom":0.0},"label":"Te","xyz":[0.6645509870861693,1.3362470128246762,7.6110116880920415]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43876010730517806,0.057318041360112,0.205683927280667],"properties":{"magmom":0.0},"label":"Te","xyz":[3.293843562956775,0.3918613929730566,2.466742968641679]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.579809412050437,0.952632796445747,0.794371261692688],"properties":{"magmom":0.0},"label":"Te","xyz":[0.5473748448535464,6.488125315732229,9.037831905491098]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9426819586398231,0.5612398926948641,0.79431607271907],"properties":{"magmom":0.0},"label":"Te","xyz":[5.175644430897816,3.8245160330823635,9.00097247423167]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.047367203554387005,0.42019058794943404,0.20562873830747402],"properties":{"magmom":0.0},"label":"Te","xyz":[-1.4409589487895316,2.8611404459410683,2.429882796257122]}]} | false | -27.741945 | -27.741945 | -1.382841 | 0 | true | -0.149275 | 1.4447 | 3.3281 | 1.8834 | 1.992038 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Rb+",
"Pa5+",
"Te2-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250235 | RbErMnSe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.942758872465045,0.06954669416855601,0.0],[-6.876981782570705,3.974841974888662,0.0],[0.0,0.0,10.939446496182796]],"pbc":[true,true,true],"a":7.943063341607692,"b":7.9430628326323935,"c":10.939446496182796,"alpha":90.0,"beta":90.0,"gamma":149.4707535316845,"volume":350.60360135310236},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256799897174317,0.743200102825284,0.25],"properties":{"magmom":0.003},"label":"Rb","xyz":[-3.0712739062047354,2.9719625483628076,2.734861624045699]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.743200102825682,0.256799897174715,0.75],"properties":{"magmom":0.003},"label":"Rb","xyz":[4.137050996099075,1.0724261206944066,8.204584872137097]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.058},"label":"Er","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.058},"label":"Er","xyz":[0.0,0.0,5.469723248091398]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5372762603827821,0.46272373961719604,0.25],"properties":{"magmom":4.306},"label":"Mn","xyz":[1.0853130564097346,1.8766195307727493,2.734861624045699]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.462723739617217,0.5372762603828031,0.75],"properties":{"magmom":4.306},"label":"Mn","xyz":[-0.01953596651539586,2.167769138284465,8.204584872137097]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6207238016843201,0.37927619831560105,0.05554639803413101],"properties":{"magmom":0.041},"label":"Se","xyz":[2.321983976799304,1.5507322415399303,0.6076468493500494]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37927619831567905,0.620723801684398,0.944453601965868],"properties":{"magmom":0.041},"label":"Se","xyz":[-1.2562068869049647,2.493656427517284,10.331799646832737]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37927619831567905,0.620723801684398,0.5555463980341311],"properties":{"magmom":0.041},"label":"Se","xyz":[-1.2562068869049647,2.493656427517284,6.077370097441449]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6207238016843201,0.37927619831560105,0.44445360196586803],"properties":{"magmom":0.041},"label":"Se","xyz":[2.321983976799304,1.5507322415399303,4.862076398741338]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9401375934809191,0.05986240652008901,0.25],"properties":{"magmom":0.054},"label":"Se","xyz":[7.055613532859011,0.3033270678440782,2.734861624045699]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05986240651908001,0.9401375934799101,0.75],"properties":{"magmom":0.054},"label":"Se","xyz":[-5.989836442964672,3.741061601213136,8.204584872137097]}]} | false | -19.258559 | -19.258559 | -1.679507 | 0 | true | -0.02377 | 1.2084 | 3.091 | 1.8826 | 1.953828 | false | false | true | FM | 9.999992 | 0.028522 | 4.999996 | 4 | 2 | [
"Er3+",
"Se2-",
"Rb+",
"Mn2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250236 | Dy2TiWO8 | 3 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.420254224702597,0.0,0.0],[0.0,5.007997924637848,0.639300958279841],[0.0,0.006836211112675,5.264286171758725]],"pbc":[true,true,true],"a":5.420254224702597,"b":5.048638324185494,"c":5.264290610514631,"alpha":82.65079248266694,"beta":90.0,"gamma":90.0,"volume":142.87336909049677},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26876217903752303,0.5,0.75],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.45675933636841,2.50912612065343,4.267865107958964]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7396399554655481,0.5,0.25],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.009036593370977,2.5057080150970927,1.6357220220796016]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7975311729868431,0.0,0.75],"properties":{"magmom":0.0},"label":"Ti","xyz":[4.322821709713954,0.0051271583345062505,3.9482146288190436]},{"species":[{"element":"W","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17850292336544202,0.0,0.25],"properties":{"magmom":0.0},"label":"W","xyz":[0.967531224493301,0.00170905277816875,1.3160715429396812]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.070693820597753,0.23742776644534302,0.48417256672829706],"properties":{"magmom":-0.0},"label":"O","xyz":[0.3831784797553382,1.1923476674907978,2.7006107463834526]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9383264977047141,0.22313021744695702,0.000511671796338],"properties":{"magmom":-0.0},"label":"O","xyz":[5.0859681633343685,1.1174391637947725,0.14534094859697003]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.589199348821011,0.2548054571823,0.606288849290592],"properties":{"magmom":-0.0},"label":"O","xyz":[3.193610259639104,1.280209919324368,3.3545753783635504]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40956271744882805,0.23943922466344203,0.10985686585278301],"properties":{"magmom":0.0},"label":"O","xyz":[2.2199340495326862,1.1998621449185594,0.7313917055586795]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.589199348821011,0.745194542817699,0.8937111507094071],"properties":{"magmom":-0.0},"label":"O","xyz":[3.193610259639104,3.7380423219824874,5.181154837554373]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40956271744882805,0.7605607753365571,0.390143134147216],"properties":{"magmom":0.0},"label":"O","xyz":[2.2199340495326862,3.8115538852756212,2.5400523386005185]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.070693820597753,0.7625722335546571,0.015827433271702],"properties":{"magmom":-0.0},"label":"O","xyz":[0.3831784797553382,3.819068362703388,0.5708332977757459]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9383264977047141,0.7768697825530421,0.499488328203661],"properties":{"magmom":-0.0},"label":"O","xyz":[5.0859681633343685,3.893976866399408,3.1261030955622275]}]} | false | -18.019629 | -18.019629 | -3.348844 | 0 | true | -0.012001 | 3.3153 | 5.9166 | 2.6013 | 2.71713 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"O2-",
"W6+",
"Ti4+",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250237 | Nd4Pu(BN3)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.171340189540929,0.017344000137988,1.674964441541259],[5.13429007963875,3.4241509392944782,1.674964440840551],[0.028828322089187,0.008775475489555,8.773925630138667]],"pbc":[true,true,true],"a":6.39462637140056,"b":6.394626662677691,"c":8.773977378836165,"alpha":74.62679557167901,"beta":74.6267947800422,"gamma":32.335294369266926,"volume":184.44603342568172},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623924287577303,0.623924287577139,0.627019603494893],"properties":{"magmom":0.012},"label":"Nd","xyz":[7.071933234395267,2.1527346734476733,7.591525361077654]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.308644572767292,0.308644572767299,0.818404169265853],"properties":{"magmom":0.024},"label":"Nd","xyz":[3.5130146432866924,1.0693806209898973,8.21455468523757]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.691355427232707,0.691355427232707,0.181595830734146],"properties":{"magmom":0.024},"label":"Nd","xyz":[7.821443947982199,2.380889793932145,3.909299827282908]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37607571242269705,0.37607571242286003,0.372980396505106],"properties":{"magmom":0.012},"label":"Nd","xyz":[4.262525356873595,1.2975357414743445,4.532329151442814]},{"species":[{"element":"Pu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":4.605},"label":"Pu","xyz":[0.0,0.0,0.0]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05461885704251301,0.054618857042562,0.40942979262504703],"properties":{"magmom":-0.006},"label":"B","xyz":[0.6293037773827882,0.1915634612194363,3.775275837984739]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9453811429574871,0.945381142957437,0.590570207374952],"properties":{"magmom":-0.006},"label":"B","xyz":[10.705154813886073,3.258706953702582,8.348578674535728]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.025662350428262003,0.025662350428355,0.25569427358885805],"properties":{"magmom":-0.039},"label":"N","xyz":[0.2975002826559128,0.0905606879638233,2.329409589410564]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.353379402032302,0.35337940203226004,0.07732177952949801],"properties":{"magmom":-0.095},"label":"N","xyz":[3.9974059212855786,1.2168319591747645,1.8622114084885455]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.826282961683894,0.826282961683908,0.588413976910082],"properties":{"magmom":0.005},"label":"N","xyz":[9.358612650169082,2.8488122436065257,7.930689631508073]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9743376495717371,0.974337649571644,0.744305726411141],"properties":{"magmom":-0.039},"label":"N","xyz":[11.036958308612943,3.3597097269581946,9.794444923109902]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.646620597967697,0.6466205979677391,0.9226782204705011],"properties":{"magmom":-0.095},"label":"N","xyz":[7.337052669983277,2.2334384557472533,10.26164310403192]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17371703831610502,0.173717038316091,0.41158602308991704],"properties":{"magmom":0.005},"label":"N","xyz":[1.9758459410997748,0.6014581713154923,4.193164881012392]}]} | false | -22.616394 | -22.616394 | -1.578425 | 0 | true | -0.005783 | 0 | null | null | 6.670104 | false | true | true | FM | 4.532272 | 0.024572 | 4.532272 | 1 | 1 | [
"Nd2+",
"B3+",
"N3-",
"Pu4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250238 | PrTm(ZnSn)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.473363536858261,8.9584124e-9,0.0],[-2.236682252912177,3.874046983610155,0.0],[0.0,0.0,16.477607252162073]],"pbc":[true,true,true],"a":4.473363536858261,"b":4.473364229716963,"c":16.477607252162073,"alpha":90.0,"beta":90.0,"gamma":120.0000019270239,"volume":285.55727207390754},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.0,0.0,8.238803626081037]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,4.119401813040518]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,12.358205439121555]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.33317689226131303],"properties":{"magmom":-0.0},"label":"Zn","xyz":[-2.559670605197077e-6,2.5826992834085503,5.489957976177833]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.666823107738686],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.236683843616687,1.2913477091600134,10.987649275984225]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8331768922613131],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.236683843616687,1.2913477091600134,13.72876160225887]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.166823107738686],"properties":{"magmom":-0.0},"label":"Zn","xyz":[-2.559670605197077e-6,2.5826992834085503,2.7488456499031875]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8798359612798801],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.559670605197077e-6,2.5826992834085503,14.497591416298341]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.120164038720119],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.236683843616687,1.2913477091600134,1.9800158358637172]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.37983596127988],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.236683843616687,1.2913477091600134,6.258787790217303]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.620164038720119],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.559670605197077e-6,2.5826992834085503,10.218819461944754]}]} | false | -22.667051 | -22.667051 | -0.693955 | 0 | true | -0.019198 | 0 | null | null | 5.362862 | false | true | false | NM | 0.000004 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250239 | Ce5FeReB6 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.110142764639773,-1.0130474000000001e-9,1.763679304980734],[2.250719703356044,4.587791395206267,1.763681306410992],[-0.026765066533786002,-0.016682444935459,8.36253799350769]],"pbc":[true,true,true],"a":5.40593412518295,"b":5.405935702502146,"c":8.36259746523861,"alpha":71.14215799796506,"beta":71.14217078102557,"gamma":59.999997561733856,"volume":196.35428845589215},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.009687629598332,0.009687629598119,0.970936111205254],"properties":{"magmom":0.481},"label":"Ce","xyz":[0.04532213949726393,0.02824723548935152,8.153661882285078]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.745414437041745,0.745414437041745,0.763757688874775],"properties":{"magmom":0.651},"label":"Ce","xyz":[5.4664511273643885,3.4070645937788147,9.016298215432721]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254862061529017,0.25486206152900304,0.23541381541296802],"properties":{"magmom":-0.462},"label":"Ce","xyz":[1.86970371679245,1.1653266945764298,2.867647372763076]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.587124543996097,0.587124543996104,0.23862736801170503],"properties":{"magmom":-0.439},"label":"Ce","xyz":[4.3153561425584295,2.6896240423379956,4.066530421761799]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41125375366208006,0.41125375366208705,0.766240739013731],"properties":{"magmom":0.6890000000000001},"label":"Ce","xyz":[3.006673835793018,1.8739636629446794,7.858357584130365]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.111314344394372,0.11131434439432301,0.6660579668169501],"properties":{"magmom":-0.17400000000000002},"label":"Fe","xyz":[0.8015424940047693,0.4995755159072878,5.962580887284744]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.890669799164385,0.89066979916452,0.327993602506694],"properties":{"magmom":0.043000000000000003},"label":"Re","xyz":[6.54731912545305,4.080735504461788,5.8845725299185565]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.494934881348548,0.168506329962781,0.505162784692991],"properties":{"magmom":0.001},"label":"B","xyz":[2.8949277043358728,0.7646445398005582,5.394540851616091]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831397003995689,0.494934881348541,0.505162784692984],"properties":{"magmom":0.001},"label":"B","xyz":[5.348996358298401,2.262230638656943,6.563668068196569]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.168506329962752,0.831397003995739,0.505162784692991],"properties":{"magmom":0.001},"label":"B","xyz":[2.7188123055168525,3.8058486704221326,5.9879534609682326]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16850632996276702,0.49493488134853403,0.505162784692984],"properties":{"magmom":0.001},"label":"B","xyz":[1.961530376641867,2.2622306393284504,5.394541504939963]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8313970039956751,0.16850632996280202,0.505162784692984],"properties":{"magmom":0.001},"label":"B","xyz":[4.614297185956476,0.7646445394598027,5.9879521342386965]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.494934881348541,0.831397003995718,0.505162784692991],"properties":{"magmom":0.001},"label":"B","xyz":[4.386908805552737,3.8058486700913488,6.563668741602152]}]} | false | -20.823748 | -20.823748 | -0.431035 | 0 | true | -0.003574 | 0 | null | null | 9.077675 | false | true | true | FiM | 1.000091 | 0.005093 | 1.000091 | 6 | 6 | [
"Ce2+",
"Re3+",
"Ce3+",
"Fe2+",
"B3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250240 | CaYb3(BeSi3)2 | 22 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.383078442575481,-0.009813863845130001,3.180677849235842],[5.113367180086805,5.324145599773933,2.641158880520814],[0.0011402710694,-0.0026807011312770003,5.821837718017342]],"pbc":[true,true,true],"a":8.039070542156345,"b":7.840202198804249,"c":5.821838446857319,"alpha":70.32473226654524,"beta":66.68207446492167,"gamma":42.99320171369641,"volume":229.12968645159094},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25000099999999703],"properties":{"magmom":-0.0},"label":"Ca","xyz":[3.1243964745731927,1.3279127560186805,2.9109244337812004]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24279910399093302,0.757200896009052,0.24280010399098703],"properties":{"magmom":0.0},"label":"Yb","xyz":[5.6647278988713365,4.0284141467697445,4.185696406064157]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757200896009067,0.242800103990951,0.7572018960090141],"properties":{"magmom":0.0},"label":"Yb","xyz":[6.832863110508088,1.2832422068119953,7.457992326544173]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750000999999997,0.7499990000000021,0.75],"properties":{"magmom":-0.0},"label":"Yb","xyz":[9.373191690010017,3.9837329421386922,8.732756375349464]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666092010538801,0.6666102010537001,0.33339079894613305],"properties":{"magmom":0.0},"label":"Be","xyz":[8.330630901785266,3.541694035675528,5.821839700392157]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33338979894612203,0.33339079894629703,0.666610201053863],"properties":{"magmom":0.0},"label":"Be","xyz":[4.16695272337543,1.769962330400745,5.821840029700566]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8235847164958301,0.34810002866655004,0.172444458146806],"properties":{"magmom":-0.0},"label":"Si","xyz":[7.860750461392519,1.8447904155795358,4.542888797451814]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8286100748906121,0.82861007489128,0.1713909251093],"properties":{"magmom":0.0},"label":"Si","xyz":[10.354876175377534,4.403049369858247,5.821842720973551]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.655871796691037,0.17244445814623002,0.348100028666664],"properties":{"magmom":-0.0},"label":"Si","xyz":[5.724521684307575,0.9107496143914199,4.568151984237713]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34810002866667805,0.8235847164959931,0.655872796690644],"properties":{"magmom":-0.0},"label":"Si","xyz":[6.782088749635838,4.379710539139321,7.100797124328184]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17138992510938703,0.171390925108724,0.8286110748907021],"properties":{"magmom":0.0},"label":"Si","xyz":[2.1427148340018887,0.908606983723498,5.821846011634783]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.172443458146453,0.65587279669122,0.823584716495879],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.627821121142295,3.488062143414537,7.075527915523417]}]} | false | -15.377553 | -15.377553 | -0.548807 | 0.013351 | false | null | 0 | null | null | 5.525658 | false | true | false | NM | 0.000015 | 0 | 0.000015 | 0 | 0 | [
"Ca2+",
"Si2-",
"Yb2+",
"Be2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250241 | Dy4U(FeB3)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.087643764770658,-7.1540038e-9,1.8477696995450201],[2.208279766554616,4.583406605354622,1.8477696999193212],[0.033437122737866004,0.021005642279703002,7.835970939426601]],"pbc":[true,true,true],"a":5.4127970532587355,"b":5.412796735637024,"c":7.836070433688226,"alpha":69.79518814321203,"beta":69.79518902823904,"gamma":59.9999807937913,"volume":182.33002928436153},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.255545618459734,0.255545618459727,0.23336414462082103],"properties":{"magmom":0.056},"label":"Dy","xyz":[1.8722443165937317,1.1761714375323842,2.7730135569313163]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7444543815402651,0.7444543815402721,0.7666358553791781],"properties":{"magmom":0.056},"label":"Dy","xyz":[5.457116337469402,3.4282408029479323,8.758496781959616]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.411739993053274,0.411739993053288,0.7647800208401271],"properties":{"magmom":0.056},"label":"Dy","xyz":[3.029595547529417,1.9032364964439483,7.5143953850208804]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5882600069467251,0.5882600069467111,0.23521997915987203],"properties":{"magmom":0.056},"label":"Dy","xyz":[4.299765106533717,2.701175744036368,4.017114953870052]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-1.234},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.106024643452855,0.10602464345286901,0.6819280696413651],"properties":{"magmom":0.342},"label":"Fe","xyz":[0.7963494036310822,0.5002783874651227,5.735386783683227]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8939753565471441,0.8939753565471301,0.318071930358634],"properties":{"magmom":0.342},"label":"Fe","xyz":[6.533011250432051,4.1041338530151945,5.796123555207705]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.166316263558648,0.8336837364413511,0.5],"properties":{"magmom":-0.002},"label":"B","xyz":[2.7038833895321286,3.8316143643320344,5.765755169570368]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8336837364413371,0.499999999999985,0.5],"properties":{"magmom":-0.002},"label":"B","xyz":[5.3623443081426805,2.302206117852917,6.382325866872712]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000000000014,0.166316263558655,0.5],"properties":{"magmom":-0.002},"label":"B","xyz":[2.927813283419876,0.7727978785354891,5.1491844718933155]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16631626355866302,0.500000000000014,0.5],"properties":{"magmom":-0.002},"label":"B","xyz":[1.9670163459204573,2.3022061226273993,5.149184472018228]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999999999985,0.8336837364413441,0.5],"properties":{"magmom":-0.002},"label":"B","xyz":[4.401547370643256,3.8316143619448275,6.382325866997624]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8336837364413511,0.166316263558648,0.5],"properties":{"magmom":-0.002},"label":"B","xyz":[4.625477264531004,0.7727978761482823,5.765755169320571]}]} | false | -22.10517 | -22.10517 | -0.507158 | 0 | true | -0.060032 | 0 | null | null | 6.885347 | false | true | true | FiM | 0.331855 | 0.00182 | 0.331855 | 7 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250242 | PrPa(Be2Ir3)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.817042702387912,-0.000248722935747,-2.744017198904463],[-1.450142591862088,4.690453129912174,-4.155040513043983],[0.009045946185583001,0.00024872293527600003,6.431760664451166]],"pbc":[true,true,true],"a":6.431766184427964,"b":6.431766924078655,"c":6.431767030590178,"alpha":130.26372414389257,"beta":115.17362028693717,"gamma":85.8901194818785,"volume":175.608917711985},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749999999999992,0.018799208644544003,0.26879920864467904],"properties":{"magmom":-0.0},"label":"Pr","xyz":[4.337952036818259,0.08805712135303714,-0.4072721959131238]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250000000000703,0.960223322642697,0.7102233226430671],"properties":{"magmom":0.0},"label":"Pa","xyz":[0.06822457969393583,4.503996957199678,-0.10778467732666656]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.074989978962612,0.290203527636457,0.21521454867341502],"properties":{"magmom":0.0},"label":"Be","xyz":[0.017330233368086555,1.3612209215805149,-0.027372737801367727]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.91008922365053,0.691374172187309,0.781283948537101],"properties":{"magmom":0.0},"label":"Be","xyz":[4.298504195510112,3.242826113049868,-0.34495680937716516]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42501002103691105,0.640224569710646,0.21521454867347903],"properties":{"magmom":0.0},"label":"Be","xyz":[1.545831343646165,3.0028911559000804,-2.4421853634502244]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.589910776349867,0.37119472488682703,0.7812839485370661],"properties":{"magmom":0.0},"label":"Be","xyz":[2.9003183487471893,1.7411190580491478,1.8639769317116894]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48460255910931904,0.47775570787880606,0.46235826698868704],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.1303223475267314,2.2408852226876945,-0.34107436390188633]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.015397440890588001,0.47775570787873506,0.9931521487689131],"properties":{"magmom":-0.0},"label":"Ir","xyz":[-0.5942623284402716,2.2411339453741355,4.3603717600700085]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254930929327478,0.0035103986744140004,0.28765505992023305],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.4804556356172396,0.016473499691340005,1.1360077960088741]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7158553387537481,0.003510398674379,0.748579469346317],"properties":{"magmom":-0.0},"label":"Ir","xyz":[4.1658421052261225,0.0164734996909587,2.835778774980523]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24506907067226502,0.5327241305925621,0.7485794693465591],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.6598229072454526,2.4988428003018095,1.9287198954264684]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.784144661245989,0.532724130592598,0.287655059920481],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.7914791400244456,2.498594077366448,-2.5150682824495934]}]} | false | -37.231741 | -37.231741 | -0.751077 | 0 | true | -0.056674 | 0 | null | null | 7.737776 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250243 | KHoTe4 | 125 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.844063942475946,0.0,0.0],[0.0,6.844063942475946,0.0],[0.0,0.0,8.744238543434006]],"pbc":[true,true,true],"a":6.844063942475946,"b":6.844063942475946,"c":8.744238543434006,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":409.5907248220118},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"K","xyz":[3.422031971237973,3.422031971237973,0.0]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"K","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Ho","xyz":[3.422031971237973,3.422031971237973,4.372119271717003]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.0,0.0,4.372119271717003]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35489447549699005,0.85489447549699,0.291327024259672],"properties":{"magmom":-0.0},"label":"Te","xyz":[2.428920483132863,5.850952454370836,2.5474329942753577]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145105524503009,0.35489447549699005,0.291327024259672],"properties":{"magmom":-0.0},"label":"Te","xyz":[0.9931114881051039,2.428920483132863,2.5474329942753577]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.85489447549699,0.6451055245030091,0.291327024259672],"properties":{"magmom":-0.0},"label":"Te","xyz":[5.850952454370836,4.415143459343078,2.5474329942753577]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35489447549699005,0.145105524503009,0.7086729757403271],"properties":{"magmom":-0.0},"label":"Te","xyz":[2.428920483132863,0.9931114881051039,6.196805549158641]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6451055245030091,0.85489447549699,0.7086729757403271],"properties":{"magmom":-0.0},"label":"Te","xyz":[4.415143459343078,5.850952454370836,6.196805549158641]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6451055245030091,0.145105524503009,0.291327024259672],"properties":{"magmom":-0.0},"label":"Te","xyz":[4.415143459343078,0.9931114881051039,2.5474329942753577]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.85489447549699,0.35489447549699005,0.7086729757403271],"properties":{"magmom":-0.0},"label":"Te","xyz":[5.850952454370836,2.428920483132863,6.196805549158641]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145105524503009,0.6451055245030091,0.7086729757403271],"properties":{"magmom":-0.0},"label":"Te","xyz":[0.9931114881051039,4.415143459343078,6.196805549158641]}]} | false | -24.511403 | -24.511403 | -1.083319 | 0 | true | -0.029674 | 0.3764 | 4.9614 | 4.585 | 4.639611 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"K+",
"Ho3+",
"Te-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250244 | K2SrEuBi2 | 26 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.400733536045559,0.0,0.0],[0.0,8.642137158464427,0.0],[0.0,0.0,10.488831106959264]],"pbc":[true,true,true],"a":5.400733536045559,"b":8.642137158464427,"c":10.488831106959264,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":489.5544441624202},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.031483885537632005,0.414278952544172],"properties":{"magmom":-0.002},"label":"K","xyz":[2.7003667680227794,0.2720880570976103,4.345301964403812]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.34081540771330004,0.33982903955805405],"properties":{"magmom":-0.001},"label":"K","xyz":[0.0,2.945373499176314,3.5644094011646077]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.531483885537632,0.5857210474558271],"properties":{"magmom":-0.002},"label":"K","xyz":[2.7003667680227794,4.593156636329824,6.143529142555442]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.8408154077133001,0.660170960441945],"properties":{"magmom":-0.001},"label":"K","xyz":[0.0,7.266442078408528,6.924421705794646]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.49053863091297206,0.9426409424846721],"properties":{"magmom":0.005},"label":"Sr","xyz":[0.0,4.239302129875263,9.887201640226627]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.9905386309129651,0.057359057515327],"properties":{"magmom":0.005},"label":"Sr","xyz":[0.0,8.560370709107417,0.6016294667326274]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.150402757172095,0.818571826476009],"properties":{"magmom":6.842},"label":"Eu","xyz":[2.7003667680227794,1.2998012564924644,8.585861636822024]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.6504027571720951,0.18142817352399002],"properties":{"magmom":6.842},"label":"Eu","xyz":[2.7003667680227794,5.620869835724679,1.9029694701372297]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.26017758585126605,0.674198720300609],"properties":{"magmom":-0.047},"label":"Bi","xyz":[0.0,2.248490382484795,7.071556509761156]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.27210173281273603,0.11477761530827],"properties":{"magmom":-0.036000000000000004},"label":"Bi","xyz":[2.7003667680227794,2.3515404960235053,1.2038830218279863]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.760177585851266,0.32580127969939104],"properties":{"magmom":-0.047},"label":"Bi","xyz":[0.0,6.569558961717009,3.4172745971981087]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7721017328127361,0.8852223846917291],"properties":{"magmom":-0.036000000000000004},"label":"Bi","xyz":[2.7003667680227794,6.6726090752557194,9.284948085131267]}]} | false | -31.287379 | -31.287379 | -0.836109 | 0 | true | -0.018085 | 0.1298 | 2.6132 | 2.4834 | 2.527463 | false | false | true | FM | 13.999845 | 0.028597 | 6.999922 | 2 | 1 | [
"K+",
"Sr2+",
"Bi3-",
"Eu2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250245 | ThNi3BIr | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.174048576173334,-0.033437854513777,0.0],[-2.7220272592506842,4.400279905800629,0.0],[0.0,0.0,7.149685441946583]],"pbc":[true,true,true],"a":5.174156622940186,"b":5.174156515751779,"c":7.149685441946583,"alpha":90.0,"beta":90.0,"gamma":122.11134303686403,"volume":162.1280060988166},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,3.5748427209732916]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31893085096864104,0.6810691490313161,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-0.20372507374586218,2.98623052754859,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6810691490313581,0.318930850968683,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.6557463906685097,1.3806115237382586,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.292626471840272],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.587024288086667,-0.0167189272568885,2.092187225644585]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.292626471840272],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.3610136296253421,2.2001399529003147,2.092187225644585]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7073735281597281],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.587024288086667,-0.0167189272568885,5.057498216301999]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.7073735281597281],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.3610136296253421,2.2001399529003147,5.057498216301999]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.671993681834777,0.328006318165243,0.5],"properties":{"magmom":-0.0},"label":"B","xyz":[2.58408581344246,1.4208495838307982,3.5748427209732916]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.328006318165229,0.671993681834756,0.5],"properties":{"magmom":-0.0},"label":"B","xyz":[-0.13206449651977667,2.94599246745605,3.5748427209732916]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.28216452588046004],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.2260106584613248,2.183421025643426,2.017387602921285]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.7178354741195391],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.2260106584613248,2.183421025643426,5.132297839025291]}]} | false | -28.776407 | -28.776407 | -0.58872 | 0 | true | -0.026901 | 0 | null | null | 8.595879 | false | true | false | NM | 0.000017 | 0 | 0.000008 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250246 | TbTa6Sn5Sb | 183 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.740991694303126,0.0,0.0],[-2.870495847151563,4.971844823695057,0.0],[0.0,0.0,9.592191077495325]],"pbc":[true,true,true],"a":5.740991694303126,"b":5.740991844569866,"c":9.592191077495325,"alpha":90.0,"beta":90.0,"gamma":119.99999913415942,"volume":273.7929778740516},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9959351431340121],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.0,0.0,9.553200193734101]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.752197813583613],"properties":{"magmom":0.0},"label":"Ta","xyz":[-1.4352479235757816,2.4859224118475285,7.215225155968225]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.752197813583613],"properties":{"magmom":0.0},"label":"Ta","xyz":[1.4352479235757816,2.4859224118475285,7.215225155968225]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.752197813583613],"properties":{"magmom":0.0},"label":"Ta","xyz":[2.870495847151563,0.0,7.215225155968225]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.25023196008248],"properties":{"magmom":0.0},"label":"Ta","xyz":[-1.4352479235757816,2.4859224118475285,2.400272774807331]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.25023196008248],"properties":{"magmom":0.0},"label":"Ta","xyz":[1.4352479235757816,2.4859224118475285,2.400272774807331]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.25023196008248],"properties":{"magmom":0.0},"label":"Ta","xyz":[2.870495847151563,0.0,2.400272774807331]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5005207800917041],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.870498717647379,1.6572799506167595,4.8010909608966434]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5005207800917041],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.8704958182979245e-6,3.3145648730782926,4.8010909608966434]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.001141445157529],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.870498717647379,1.6572799506167595,0.010948960055499921]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.001141445157529],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.8704958182979245e-6,3.3145648730782926,0.010948960055499921]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.333683225379928],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.0,0.0,3.200753257199207]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.659764859989309],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.0,0.0,6.328590603234402]}]} | false | -36.582711 | -36.582711 | -0.258506 | 0.002208 | false | null | 0 | null | null | 7.889497 | false | true | false | NM | 0.000004 | 0 | 0.000004 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250247 | CsEuMnSe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.212908837056366,0.07150638800893,0.0],[-7.111082499160869,4.109681254687012,0.0],[0.0,0.0,11.536022457247713]],"pbc":[true,true,true],"a":8.213220119376118,"b":8.213219485987075,"c":11.536022457247713,"alpha":90.0,"beta":90.0,"gamma":149.47641718152695,"volume":395.2348038797532},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26111761322778104,0.7388823867724521,0.25],"properties":{"magmom":-0.001},"label":"Cs","xyz":[-3.109718456326287,3.0552426717045766,2.884005614311928]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7388823867722181,0.261117613227547,0.75],"properties":{"magmom":-0.001},"label":"Cs","xyz":[4.211544794221783,1.1259449709913618,8.652016842935785]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":6.53},"label":"Eu","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":6.53},"label":"Eu","xyz":[0.0,0.0,5.768011228623856]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.540466754881833,0.45953324511539506,0.25],"properties":{"magmom":4.183},"label":"Mn","xyz":[1.1710253701814963,1.9271819888367387,2.884005614311928]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.459533245118159,0.540466754884604,0.75],"properties":{"magmom":4.183},"label":"Mn","xyz":[-0.0691990322860575,2.254005653859199,8.652016842935785]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.619284009434466,0.380715990564148,0.06725338197799101],"properties":{"magmom":-0.081},"label":"Se","xyz":[2.378820296080617,1.6089041324474231,0.7758365248239628]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.380715990565534,0.619284009435851,0.9327466180220081],"properties":{"magmom":-0.081},"label":"Se","xyz":[-1.2769939581851122,2.572283510248515,10.76018593242374]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.380715990565534,0.619284009435851,0.567253381977991],"properties":{"magmom":-0.081},"label":"Se","xyz":[-1.2769939581851122,2.572283510248515,6.543847753447819]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.619284009434466,0.380715990564148,0.43274661802200803],"properties":{"magmom":-0.081},"label":"Se","xyz":[2.378820296080617,1.6089041324474231,4.992174703799883]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9514077601160261,0.048592239881365004,0.25],"properties":{"magmom":-0.051000000000000004},"label":"Se","xyz":[7.468281774085512,0.26773034981326393,2.884005614311928]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.048592239883973,0.951407760118634,0.75],"properties":{"magmom":-0.051000000000000004},"label":"Se","xyz":[-6.366455436190016,3.9134572928826743,8.652016842935785]}]} | false | -21.756481 | -21.756481 | -1.548589 | 0 | true | -0.020087 | 0 | null | null | 1.487745 | false | true | true | FM | 21.99991 | 0.055663 | 10.999955 | 4 | 2 | [
"Mn2+",
"Se2-",
"Cs+",
"Eu3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250248 | BaNdTe3Au | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.9264740666016325,0.260828497491627,0.0],[-6.76166165767138,4.144509380585347,0.0],[0.0,0.0,11.712781185052132]],"pbc":[true,true,true],"a":7.930764315853294,"b":7.930764551957346,"c":11.712781185052132,"alpha":90.0,"beta":90.0,"gamma":146.60940568314942,"volume":405.4376885113441},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7434660632103841,0.256532936789568,0.25],"properties":{"magmom":-0.0},"label":"Ba","xyz":[4.158475546815662,1.257120299156652,2.928195296263033]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256532936789618,0.7434660632104341,0.75],"properties":{"magmom":-0.0},"label":"Ba","xyz":[-2.993664302697815,3.148213173582453,8.784585888789099]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.5824062044651264,2.2026689390384866,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.5824062044651264,2.2026689390384866,5.856390592526066]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.1408054635002,0.859194536500105,0.05832292526271401],"properties":{"magmom":-0.0},"label":"Te","xyz":[-4.693491899063335,3.5976658937557335,0.6831236616743183]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42000629117492105,0.579993708824282,0.25],"properties":{"magmom":0.0},"label":"Te","xyz":[-0.5925522478402204,2.5133389767669083,2.928195296263033]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.1408054635002,0.859194536500105,0.44167607473728704],"properties":{"magmom":-0.0},"label":"Te","xyz":[-4.693491899063335,3.5976658937557335,5.173255218070575]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.859194536499799,0.140805463499894,0.5583229252627141],"properties":{"magmom":-0.0},"label":"Te","xyz":[5.858304307993587,0.8076719843212358,6.539514254200385]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5799937088250781,0.42000629117571703,0.75],"properties":{"magmom":0.0},"label":"Te","xyz":[1.7573646567704724,1.891998901310061,8.784585888789099]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.859194536499799,0.140805463499894,0.9416770747372851],"properties":{"magmom":-0.0},"label":"Te","xyz":[5.858304307993587,0.8076719843212358,11.029657523377804]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.032302232592591004,0.9676977674075571,0.25],"properties":{"magmom":-0.0},"label":"Au","xyz":[-6.287202081155369,4.0190578173848674,2.928195296263033]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9676977674074081,0.032302232592442005,0.75],"properties":{"magmom":-0.0},"label":"Au","xyz":[7.452014490085621,0.3862800606921018,8.784585888789099]}]} | false | -31.919922 | -31.919922 | -1.460884 | 0 | true | -0.039148 | 0.8948 | 5.4227 | 4.5279 | 4.668095 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250249 | CeHf(PPt)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.070647557096055,2.5001663e-9,0.0],[-2.035324274238902,3.525283070605712,0.0],[0.0,0.0,15.272036096805566]],"pbc":[true,true,true],"a":4.070647557096055,"b":4.070646831795329,"c":15.272036096805566,"alpha":90.0,"beta":90.0,"gamma":120.00001391527111,"volume":219.15654216313305},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.001},"label":"Ce","xyz":[0.0,0.0,7.636018048402783]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.001},"label":"Ce","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Hf","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.0},"label":"Hf","xyz":[0.0,0.0,3.8180090242013915]},{"species":[{"element":"Hf","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.0},"label":"Hf","xyz":[0.0,0.0,11.454027072604175]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8827070776066531],"properties":{"magmom":-0.0},"label":"P","xyz":[-2.3657845063267783e-6,2.350189889664872,13.480734352114558]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.117292922393346],"properties":{"magmom":-0.0},"label":"P","xyz":[2.035325648641657,1.1750931834410028,1.791301744690994]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.382707077606653],"properties":{"magmom":-0.0},"label":"P","xyz":[2.035325648641657,1.1750931834410028,5.844716303711774]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6172929223933461],"properties":{"magmom":-0.0},"label":"P","xyz":[-2.3657845063267783e-6,2.350189889664872,9.427319793093778]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.344790782541792],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-2.3657845063267783e-6,2.350189889664872,5.265657276824086]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.655209217458207],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.035325648641657,1.1750931834410028,10.006378819981466]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8447907825417921],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.035325648641657,1.1750931834410028,12.90167532522687]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.155209217458207],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-2.3657845063267783e-6,2.350189889664872,2.370360771578682]}]} | false | -34.207038 | -34.207038 | -1.378433 | 0 | true | -0.024405 | 0.1491 | 9.2962 | 9.1471 | 9.191553 | false | false | false | NM | 0.000019 | 0 | 0.000009 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250250 | YbHo2(BPt2)3 | 21 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.335479607387121,0.010559242464403,0.0],[-2.658594797809824,4.6259418135845625,0.0],[0.0,0.0,7.782811067859396]],"pbc":[true,true,true],"a":5.335490056072193,"b":5.335490976621691,"c":7.782811067859396,"alpha":90.0,"beta":90.0,"gamma":119.77320549675399,"volume":192.31085627461147},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.8333330000000031],"properties":{"magmom":-0.0},"label":"Yb","xyz":[1.3384424047886487,2.3182505280244827,6.485673295612498]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.503089399595623],"properties":{"magmom":0.0},"label":"Ho","xyz":[2.6677398036935607,0.0052796212322015,3.915449747295553]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.16357760040437302],"properties":{"magmom":0.0},"label":"Ho","xyz":[-1.329297398904912,2.3129709067922812,1.273093558881036]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.33333300000000304],"properties":{"magmom":-0.0},"label":"B","xyz":[1.3384424047886487,2.3182505280244827,2.5942677616828]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.996840318706077],"properties":{"magmom":-0.0},"label":"B","xyz":[2.6677398036935607,0.0052796212322015,7.758219865314144]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.6698266812939191],"properties":{"magmom":-0.0},"label":"B","xyz":[-1.329297398904912,2.3129709067922812,5.213134508721842]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.147739987756786,0.8522600122431571,0.8333330000000031],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-1.4775503430590393,3.9440652490341233,6.485673295612498]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14814015531156602,0.301819668045332,0.49953851986429504],"properties":{"magmom":0.0},"label":"Pt","xyz":[-0.012017421641986168,1.3977644703917629,3.887813921221936]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.698180331953786,0.8518598446883481,0.167128480135701],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.4603767718666698,3.948026330266458,1.300729384954653]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.852260012243213,0.14773998775685002,0.8333330000000031],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.154435152636313,0.692435807014875,6.485673295612498]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8518598446884341,0.698180331954667,0.49953851986429504],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.6889022312192874,3.238736585657198,3.887813921221936]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.301819668046214,0.148140155311651,0.167128480135701],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.2165080377106305,0.6884747257825032,1.300729384954653]}]} | false | -37.221913 | -37.221913 | -1.117127 | 0 | true | -0.058478 | 0 | null | null | 7.59661 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250251 | CaDy(MgAl4)2 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.252313149016922,0.003274647540093,7.90555219574627],[2.389210518362342,4.677443585513917,7.905552196619136],[0.0053459746560870006,0.003274653590447,9.491285904377872]],"pbc":[true,true,true],"a":9.49128861948267,"b":9.491288686484475,"c":9.491287974845312,"alpha":33.567107092070266,"beta":33.567106733626524,"gamma":33.567103143584006,"volume":232.83028076989436},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.063818944435389,0.063818944435254,0.063818944437386],"properties":{"magmom":0.0},"label":"Ca","xyz":[0.4880151487894053,0.298927481767895,1.614771840448272]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.93625842514065,0.936258425140792,0.936258425138596],"properties":{"magmom":0.0},"label":"Dy","xyz":[7.159446128308193,4.385427803420404,23.689576091504552]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.561100758697463,0.56110075869757,0.561100758696071],"properties":{"magmom":-0.0},"label":"Mg","xyz":[4.2906643578068815,2.6281919624302206,14.197190392349615]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.440226119145855,0.44022611914577603,0.440226119146913],"properties":{"magmom":-0.0},"label":"Mg","xyz":[3.366351746127293,2.062016010593914,11.13877308545845]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7502986441414301,0.7502986441413451,0.7502986441425391],"properties":{"magmom":-0.0},"label":"Al","xyz":[5.73743592434519,3.5143935120170453,18.98434913319361]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24980885204701703,0.24980885204708103,0.24980885204614303],"properties":{"magmom":-0.0},"label":"Al","xyz":[1.9102557270301834,1.1701028860093419,6.3207610740672315]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9976624787464201,0.498951993960886,0.49895199396134104],"properties":{"magmom":-0.0},"label":"Al","xyz":[6.434804492244172,2.338720691552081,16.567259858578918]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.502419760434072,0.00025101464499500004,0.000251014644476],"properties":{"magmom":-0.0},"label":"Al","xyz":[2.6394669828018213,0.0028201764597082526,3.9762725014209237]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49895199396091505,0.997662478746384,0.49895199396135503],"properties":{"magmom":-0.0},"label":"Al","xyz":[5.006945191319756,4.669777748578323,16.567259859014303]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000251014644966,0.5024197604341221,0.00025101464444000004],"properties":{"magmom":-0.0},"label":"Al","xyz":[1.2017063257005707,2.3500417296485194,3.976272501859075]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49895199396092205,0.498951993960894,0.9976624787468181],"properties":{"magmom":-0.0},"label":"Al","xyz":[3.818086949065104,2.3387206945694934,17.358081885151154]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000251014644902,0.000251014644902,0.502419760433923],"properties":{"magmom":-0.0},"label":"Al","xyz":[0.004604057655874489,0.002820179497572837,4.772578409041959]}]} | false | -8.698007 | -8.698007 | -0.263382 | 0 | true | -0.0078 | 0 | null | null | 5.714017 | false | true | false | NM | 0.000005 | 0 | 0.000005 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250252 | TbLu3(MnAl3)2 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.269807380674144,0.006189558836730001,7.7131368689889355],[2.38788493772074,4.697756214102987,7.713136868862066],[0.010076345604676,0.0061895590157930004,9.341479777624503]],"pbc":[true,true,true],"a":9.341487488607086,"b":9.34148747688162,"c":9.341487262698006,"alpha":34.280052795744346,"beta":34.2800522961935,"gamma":34.280053906959694,"volume":230.61991711406077},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8127779437672871,0.8127779437672721,0.812777943767187],"properties":{"magmom":0.248},"label":"Tb","xyz":[6.232193248008763,3.828294109972376,20.130683774042126]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.313062612140917,0.31306261214090303,0.31306261214083203],"properties":{"magmom":0.251},"label":"Lu","xyz":[2.400491687243937,1.474567270559151,7.75385761241624]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.686495932965115,0.686495932965122,0.686495932965137],"properties":{"magmom":0.23},"label":"Lu","xyz":[5.263892002753068,3.2334887491027824,17.002962057056624]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18708182644159801,0.187081826441613,0.187081826441676],"properties":{"magmom":0.257},"label":"Lu","xyz":[1.4345001663927262,0.8811807206894102,4.633596564531311]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500214157406624,0.500214157406624,0.500214157406638],"properties":{"magmom":-0.856},"label":"Mn","xyz":[3.835526441451455,2.3560763763452948,12.38918095559866]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00018869441545600003,0.00018869441546300001,0.00018869441549900003],"properties":{"magmom":-0.864},"label":"Mn","xyz":[0.0014468651259223796,0.000888776233215148,0.004673536772216616]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249647866635115,0.24964786663510102,0.749211170266029],"properties":{"magmom":0.015},"label":"Al","xyz":[1.9192758613178413,1.1789673137352545,10.849877324994194]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7503577471465731,0.7503577471465801,0.250953435033594],"properties":{"magmom":0.015},"label":"Al","xyz":[5.748537449914499,3.5311954439790805,13.919500447292]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249647866635115,0.7492111702660581,0.24964786663507202],"properties":{"magmom":0.015},"label":"Al","xyz":[3.107141776997417,3.5227018511554524,10.03641696204879]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7503577471465941,0.250953435033537,0.7503577471466231],"properties":{"magmom":0.015},"label":"Al","xyz":[4.561049585632403,1.1882068258627703,14.732701917526688]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7492111702660651,0.24964786663510102,0.24964786663507202],"properties":{"magmom":0.015},"label":"Al","xyz":[4.546844473407381,1.1789673136458012,10.036416962112115]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250953435033537,0.7503577471466011,0.7503577471466151],"properties":{"magmom":0.015},"label":"Al","xyz":[3.121805090446094,3.531195444068604,14.732701917463308]}]} | false | -18.269216 | -18.269216 | -0.333772 | 0.10551 | false | null | 0 | null | null | 5.672838 | false | true | true | FiM | 0.10257 | 0.000445 | 0.10257 | 6 | 6 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250253 | TbZr2Al7Cu2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.059721278091426,-0.001110911141078,7.265735802512013],[2.279795665155896,4.517002960913948,7.2657358028812],[-0.001805243285091,-0.0011109060634930002,8.853908372589355]],"pbc":[true,true,true],"a":8.853908594400531,"b":8.853908785448306,"c":8.853908626319987,"alpha":34.86430956809509,"beta":34.86430682846082,"gamma":34.8643042901839,"volume":202.45821617740714},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8560396535681171,0.85603965356816,0.8560396535680751],"properties":{"magmom":-0.0},"label":"Zr","xyz":[6.281372181618487,3.8648316861970367,20.018812574910918]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14396034643188202,0.143960346431839,0.143960346431924],"properties":{"magmom":-0.0},"label":"Zr","xyz":[1.0563395183437387,0.6499494575123361,3.3665674030716275]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.415742948654902,0.41574294865478806,0.9238487621080501],"properties":{"magmom":0.0},"label":"Al","xyz":[3.04968464391376,1.8764239673877114,14.221029143355105]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.923848762107887,0.415742948654845,0.41574294865501504],"properties":{"magmom":0.0},"label":"Al","xyz":[5.621475694371762,1.8764239648080183,13.41406942773221]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41574294865493006,0.9238487621078301,0.41574294865498],"properties":{"magmom":0.0},"label":"Al","xyz":[4.208979329472509,4.172103889041754,13.414069427919689]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Al","xyz":[3.6688558499811155,2.2573905718546885,11.692689988991283]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.584257051345069,0.076151237892169,0.584257051345019],"properties":{"magmom":0.0},"label":"Al","xyz":[3.128732370489715,0.3426772546676195,9.971310550062856]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.076151237892112,0.584257051345154,0.5842570513449841],"properties":{"magmom":0.0},"label":"Al","xyz":[1.7162360055904617,2.6383571789013547,9.971310550250337]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5842570513450981,0.584257051345211,0.07615123789194901],"properties":{"magmom":0.0},"label":"Al","xyz":[4.2880270560484695,2.6383571763216613,9.164350834627449]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.665501174941546,0.665501174941553,0.665501174941539],"properties":{"magmom":-0.0},"label":"Cu","xyz":[4.88325575770721,3.0045921557425594,15.562997851801892]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.334498825058453,0.334498825058446,0.33449882505846],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.4544559422550143,1.5101889879668138,7.822382126180652]}]} | false | -12.707014 | -12.707014 | -0.578322 | 0 | true | -0.023144 | 0 | null | null | 8.070975 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250254 | PrDy(AsPt)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.304918033964745,-1.1495636e-9,0.0],[-2.15245851892816,3.728168220692247,0.0],[0.0,0.0,15.668051550307997]],"pbc":[true,true,true],"a":4.304918033964745,"b":4.30491764816541,"c":15.668051550307997,"alpha":90.0,"beta":90.0,"gamma":119.9999953255792,"volume":251.46374476886757},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,7.834025775153998]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.0},"label":"Dy","xyz":[0.0,0.0,3.917012887576999]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.0},"label":"Dy","xyz":[0.0,0.0,11.751038662730998]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.878496309675114],"properties":{"magmom":-0.0},"label":"As","xyz":[-1.8204226879867155e-6,2.485446722801036,13.764325466745024]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.121503690324885],"properties":{"magmom":-0.0},"label":"As","xyz":[2.1524613354592703,1.242721496741644,1.9037260835629572]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.37849630967511405],"properties":{"magmom":-0.0},"label":"As","xyz":[2.1524613354592703,1.242721496741644,5.930299691591026]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6215036903248851],"properties":{"magmom":-0.0},"label":"As","xyz":[-1.8204226879867155e-6,2.485446722801036,9.737751858716956]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.358320410030934],"properties":{"magmom":0.0},"label":"Pt","xyz":[-1.8204226879867155e-6,2.485446722801036,5.614182655892173]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.641679589969065],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.1524613354592703,1.242721496741644,10.053868894415809]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8583204100309341],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.1524613354592703,1.242721496741644,13.448208431046172]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.14167958996906502],"properties":{"magmom":0.0},"label":"Pt","xyz":[-1.8204226879867155e-6,2.485446722801036,2.2198431192618107]}]} | false | -33.714339 | -33.714339 | -1.418297 | 0 | true | -0.05667 | 0 | null | null | 6.551571 | false | true | false | NM | 0.000014 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250255 | BaYb(InSn)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.7769581643024175,1.6282016800000002e-8,0.0],[-2.38848005388476,4.136967405527374,0.0],[0.0,0.0,19.007517883006525]],"pbc":[true,true,true],"a":4.7769581643024175,"b":4.776958894757336,"c":19.007517883006525,"alpha":90.0,"beta":90.0,"gamma":120.00000820464057,"volume":375.62885428944065},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ba","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Ba","xyz":[0.0,0.0,9.503758941503262]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,4.751879470751631]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,14.255638412254893]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8307729309092401],"properties":{"magmom":-0.0},"label":"In","xyz":[2.3884811467194047,1.378987767041352,15.790931340975126]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.33077293090924004],"properties":{"magmom":-0.0},"label":"In","xyz":[-3.0363017495807435e-6,2.7579796547680346,6.287172399471862]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.669227069090759],"properties":{"magmom":-0.0},"label":"In","xyz":[2.3884811467194047,1.378987767041352,12.720345483534645]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.16922706909075902],"properties":{"magmom":-0.0},"label":"In","xyz":[-3.0363017495807435e-6,2.7579796547680346,3.216586542031383]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6197598595974011],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-3.0363017495807435e-6,2.7579796547680346,11.780096614467213]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.11975985959740101],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.3884811467194047,1.378987767041352,2.27633767296395]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.380240140402598],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.3884811467194047,1.378987767041352,7.227421268539294]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.880240140402598],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-3.0363017495807435e-6,2.7579796547680346,16.731180210042556]}]} | false | -26.768748 | -26.768748 | -0.488996 | 0.096513 | false | null | 0 | null | null | 5.956758 | false | true | false | NM | 0.000759 | 0.000002 | 0.00038 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250256 | K2NaDyBi2 | 72 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.909309593332699,0.026427457942784,4.277624426004574],[-4.415044007338767,5.297870852374324,-7.07916023453382],[-0.08237981226582501,-0.026427467867860002,9.882665623266622]],"pbc":[true,true,true],"a":9.883044397873276,"b":9.883044003816856,"c":9.883044301520798,"alpha":135.5593241483905,"beta":64.83119291565286,"gamma":135.3416676812377,"volume":468.3332262979762},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32168269529653004,0.7781767309068921,0.099858426203404],"properties":{"magmom":-0.0},"label":"K","xyz":[-0.577940107630249,4.128542071218606,-3.145932578218284]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17831730470343302,0.27817673090684203,0.45649403561031904],"properties":{"magmom":-0.0},"label":"K","xyz":[0.32291567172613717,1.4663928860926931,3.304894719522723]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.821682695296566,0.721824269093154,0.54350596438968],"properties":{"magmom":-0.0},"label":"K","xyz":[4.088965686957971,3.831483254227386,3.776228016054433]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6783173047034691,0.221823269093107,0.9001405737965981],"properties":{"magmom":-0.0},"label":"K","xyz":[4.989825963738165,1.1693287976581046,10.22705251029006]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Na","xyz":[5.537031287031919,1.331074572616739,6.379761072503286]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":-0.0},"label":"Na","xyz":[-1.1251455133038128,3.9667962698325088,0.7013687422340897]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.123566396498483,1.331074577579277,-0.7003839521323114]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750000999999997,0.750000999999997,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.370703683761022,3.993229057036125,-2.1011546579327347]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8946065611989901,0.228987223262088,0.12359278446096701],"properties":{"magmom":0.0},"label":"Bi","xyz":[6.949156599746807,1.2335206686177311,3.4271797949916643]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.605394438800949,0.7289862232619121,0.33437966206295705],"properties":{"magmom":0.0},"label":"Bi","xyz":[2.147594091128279,3.869237092297098,0.7336021469326457]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39460556119905005,0.271013776738087,0.665620337937042],"properties":{"magmom":0.0},"label":"Bi","xyz":[2.264291682599824,1.4286337501521449,6.347527667804724]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.105394438801006,0.771013776737909,0.8764072155390321],"properties":{"magmom":0.0},"label":"Bi","xyz":[-2.5372663317531363,4.064355498129811,3.6539472182098978]}]} | false | -28.150829 | -28.150829 | -0.719653 | 0 | true | -0.021868 | 1.1532 | 2.5653 | 1.4121 | 1.447692 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250257 | AcIn4Pt | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.929008110364629,0.017257733415057,0.0],[-7.722762669464231,4.481790536262082,0.0],[0.0,0.0,7.517501240029034]],"pbc":[true,true,true],"a":8.929024787977685,"b":8.92902624365046,"c":7.517501240029034,"alpha":90.0,"beta":90.0,"gamma":149.76116099139287,"volume":301.8368568632731},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12243635388221401,0.8775636461175861,0.75],"properties":{"magmom":0.0},"label":"Ac","xyz":[-5.6839805694980505,3.935169418093055,5.638125930021776]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.877563646117785,0.12243635388241302,0.25],"properties":{"magmom":0.0},"label":"Ac","xyz":[6.890226010398447,0.56387885158408,1.8793753100072585]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"In","xyz":[0.603122720450199,2.2495241348385697,3.758750620014517]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[0.603122720450199,2.2495241348385697,0.0]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07002198423952401,0.929978015764731,0.25],"properties":{"magmom":-0.0},"label":"In","xyz":[-6.556772638391749,4.16917509072336,1.8793753100072585]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9299780157604751,0.07002198423526801,0.75],"properties":{"magmom":-0.0},"label":"In","xyz":[7.763018079292147,0.3298731789537748,5.638125930021776]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31503144279371703,0.684968557203063,0.9465062799828411],"properties":{"magmom":-0.0},"label":"In","xyz":[-2.47693129559962,3.075322325966875,7.115362133466276]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.684968557206282,0.315031442796936,0.053493720017158006],"properties":{"magmom":-0.0},"label":"In","xyz":[3.6831767365000165,1.4237259437102594,0.40213910656275126]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.684968557206282,0.315031442796936,0.44650627998284104],"properties":{"magmom":-0.0},"label":"In","xyz":[3.6831767365000165,1.4237259437102594,3.3566115134517585]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31503144279371703,0.684968557203063,0.553493720017158],"properties":{"magmom":-0.0},"label":"In","xyz":[-2.47693129559962,3.075322325966875,4.160889726577269]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7742722009309161,0.225727799072544,0.75],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.170240541604256,1.0250268968889518,5.638125930021776]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22572779906908302,0.7742722009274551,0.25],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-3.963995100703859,3.474021372788183,1.8793753100072585]}]} | false | -35.74101 | -35.74101 | -0.66775 | 0 | true | -0.070664 | 0 | null | null | 8.331919 | false | true | false | NM | 0.000004 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250258 | ErLu3(MoOs3)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.424853039676231,3.068478e-10,0.0],[-2.712427019332674,4.698060635964497,0.0],[0.0,0.0,8.38205579215201]],"pbc":[true,true,true],"a":5.424853039676231,"b":5.424853368931281,"c":8.38205579215201,"alpha":90.0,"beta":90.0,"gamma":120.00000408067142,"volume":213.62749232987113},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.065218041338965],"properties":{"magmom":0.005},"label":"Er","xyz":[-3.0454230313423283e-6,3.132041990098807,0.5466612611580808]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.435629606594062],"properties":{"magmom":0.003},"label":"Lu","xyz":[-3.0454230313423283e-6,3.132041990098807,3.6514716671846585]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5650602051923811],"properties":{"magmom":-0.005},"label":"Lu","xyz":[2.7124290657665857,1.5660186461725332,4.736366165847401]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9346566109872111],"properties":{"magmom":-0.005},"label":"Lu","xyz":[2.7124290657665857,1.5660186461725332,7.83434385979852]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49982387294427605],"properties":{"magmom":-0.003},"label":"Mo","xyz":[0.0,0.0,4.189551589268419]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9999626710977971],"properties":{"magmom":-0.004},"label":"Mo","xyz":[0.0,0.0,8.381742899211085]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.826272639680745,0.17372736031811,0.25067862283894005],"properties":{"magmom":-0.091},"label":"Os","xyz":[4.011184854849208,0.8161816731540732,2.101202202535826]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8262726396801481,0.652543279362035,0.25067862283894005],"properties":{"magmom":-0.091},"label":"Os","xyz":[2.7124316187446214,3.0656878942875005,2.101202202535826]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34745672063910804,0.173727360319844,0.25067862283894005],"properties":{"magmom":-0.091},"label":"Os","xyz":[1.4136788609861122,0.816181673015296,2.101202202535826]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17359387855633202,0.826406121444875,0.749204374442832],"properties":{"magmom":0.1},"label":"Os","xyz":[-1.299845012993494,3.8825060685335298,6.279872866304163]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17359387855695002,0.347189757112076,0.749204374442832],"properties":{"magmom":0.1},"label":"Os","xyz":[-5.598267486606468e-6,1.631118531151586,6.279872866304163]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6528102428867151,0.826406121443049,0.749204374442832],"properties":{"magmom":0.1},"label":"Os","xyz":[1.2998333377117295,3.8825060686719977,6.279872866304163]}]} | false | -43.588062 | -43.588062 | -0.403028 | 0 | true | -0.021482 | 0 | null | null | 6.564429 | false | true | true | AFM | 0.015898 | 0.000074 | 0.015898 | 6 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250259 | PuHg3(OF3)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.862014634842415,-0.001092111101815,-0.0009351025787100001],[-3.4319528561348482,5.944317250187412,4.2558261e-9],[-0.000738331907429,-0.00042560139969200004,5.780678655827063]],"pbc":[true,true,true],"a":6.862014785463157,"b":6.863906174883787,"c":5.780678718645859,"alpha":89.99999417316097,"beta":90.01512520764524,"gamma":120.00911626575756,"volume":235.7721640428462},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-4.148},"label":"Pu","xyz":[-0.0003691659537145,-0.00021280069984600002,2.8903393279135314]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.001},"label":"Hg","xyz":[3.4310073174212077,-0.0005460555509075,-0.00046755128935500005]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.001},"label":"Hg","xyz":[-1.7159764280674241,2.972158625093706,2.12791305e-9]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.001},"label":"Hg","xyz":[1.7150308893537836,2.9716125695427986,-0.0004675491614419501]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666739379090437,0.333369689545058,0.107466724832981],"properties":{"magmom":0.006},"label":"O","xyz":[3.430986972649443,1.9808813047858793,0.6206071341597019]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333259620909565,0.666630310454941,0.8925342751670151],"properties":{"magmom":0.006},"label":"O","xyz":[-0.001670388602254858,3.96191823356653,5.159142204958213]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.143962718271268,0.287951999663981,0.27154787504584704],"properties":{"magmom":0.025},"label":"F","xyz":[-0.0005639004879447855,1.7114052443899876,1.5695963866291023]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.143962718271119,0.856012718606393,0.27154787504648603],"properties":{"magmom":0.025},"label":"F","xyz":[-1.950121507321394,5.088138375153231,1.569596389050364]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.712142829804243,0.856072414901568,0.271644481240557],"properties":{"magmom":0.026000000000000002},"label":"F","xyz":[1.9485337870471366,5.087872671947045,1.5696235317272385]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28785817019575405,0.143927585098431,0.728355518759443],"properties":{"magmom":0.026000000000000002},"label":"F","xyz":[1.4807965217676191,0.8549268646467438,4.210120024841839]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.85603728172888,0.143987281393606,0.7284521249535131],"properties":{"magmom":0.025},"label":"F","xyz":[5.379444954121529,0.8546611625326687,4.21014716845381]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.856036281728734,0.712048000336018,0.728452124954152],"properties":{"magmom":0.025},"label":"F","xyz":[3.4298804852734652,4.231394294388022,4.210147171810173]}]} | false | -24.241088 | -24.241088 | -2.144338 | 0.012011 | false | null | 0.8441 | 0.9281 | 0.084 | 0.117347 | false | false | true | FM | 4 | 0.016966 | 4 | 1 | 1 | [
"Hg2+",
"Pu4+",
"O2-",
"F-"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250260 | SmLu3(ZnSn)4 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.423541032837208,2.34963047e-8,0.0],[-2.211771475534097,3.830899705831548,0.0],[0.0,0.0,15.922331245575661]],"pbc":[true,true,true],"a":4.423541032837208,"b":4.423542202367523,"c":15.922331245575661,"alpha":90.0,"beta":90.0,"gamma":120.00000529453072,"volume":269.8220877456806},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Sm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25541967106553104],"properties":{"magmom":-0.0},"label":"Lu","xyz":[0.0,0.0,4.066876609341363]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.744580328934468],"properties":{"magmom":-0.0},"label":"Lu","xyz":[0.0,0.0,11.855454636234283]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Lu","xyz":[0.0,0.0,7.9611656227878305]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.167946312567295],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.8511811425820432e-6,2.553934422019679,2.6740968201694577]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.832053687432704],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.211772408484251,1.27696530730817,13.248234425406189]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.661300384555616],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.211772408484251,1.27696530730817,10.529443775721084]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.33869961544438304],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.8511811425820432e-6,2.553934422019679,5.392887469854561]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.610026426193741],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.8511811425820432e-6,2.553934422019679,9.713042826411458]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.389973573806258],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.211772408484251,1.27696530730817,6.209288419164189]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.12073430539351901],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.211772408484251,1.27696530730817,1.9223716031801017]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8792656946064811],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.8511811425820432e-6,2.553934422019679,13.999959642395561]}]} | false | -23.831156 | -23.831156 | -0.614513 | 0 | true | -0.008487 | 0 | null | null | 5.497995 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250261 | Na2ThO3 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8352661014743985,-0.0029427846140660002,1.139261852222861],[-3.102265939593832,4.9422957935770615,1.139261850997891],[0.001118007545184,0.0020210376328910003,6.123085346875737]],"pbc":[true,true,true],"a":5.945439992374641,"b":5.945440205427404,"c":6.123085782484053,"alpha":78.94223764572995,"beta":78.94224089679601,"gamma":118.41232181904103,"volume":176.50462334261456},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9226991627613471,0.07730083724016601,0.7500000000002061],"properties":{"magmom":-0.0},"label":"Na","xyz":[5.145225897506732,0.3808440760571405,5.731575862287958]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244372091484635,0.7556279085166361,0.7500000000001421],"properties":{"magmom":-0.0},"label":"Na","xyz":[-0.9173440363521049,3.7353332775649437,5.73157586145636]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07730083723865201,0.9226991627598331,0.24999999999979303],"properties":{"magmom":-0.0},"label":"Na","xyz":[-2.4111077280809843,4.560529970538742,2.670033187808523]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7556279085153641,0.24437209148337002,0.24999999999985703],"properties":{"magmom":-0.0},"label":"Na","xyz":[3.6514622057778316,1.2060407690309731,2.670033188640129]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.593851770744528,0.40614822925550703,0.750000000000234],"properties":{"magmom":0.0},"label":"Th","xyz":[2.206141794739272,2.00707288538895,5.731575861883617]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.406148229255471,0.593851770744493,0.24999999999976502],"properties":{"magmom":0.0},"label":"Th","xyz":[0.5279763746864727,2.9343011612069367,2.670033188212865]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.64318244742622,0.7859096156342741,0.49066738175177704],"properties":{"magmom":-0.0},"label":"O","xyz":[1.3155886701830466,3.883296697314467,4.632508325190762]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35681755257378,0.21409038436572503,0.5093326182482231],"properties":{"magmom":-0.0},"label":"O","xyz":[1.4185294992427067,1.0580773492814148,3.7691007249057265]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.214090384367381,0.356817552574867,0.009332618248223],"properties":{"magmom":-0.0},"label":"O","xyz":[0.14234185648597927,1.7628867288487846,0.7075580512961464]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":-0.0},"label":"O","xyz":[-1.550573966024324,2.472158415604976,3.631173598936814]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7859096156326181,0.6431824474251321,0.990667381751777],"properties":{"magmom":-0.0},"label":"O","xyz":[2.5917763129397686,3.1784873177470976,7.69405099880034]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":-0.0},"label":"O","xyz":[2.9176330507371993,-0.0014713923070330001,0.5696309261114305]}]} | false | -19.294689 | -19.294689 | -2.874485 | 0 | true | -0.063013 | 4.406 | 6.4374 | 2.0314 | 2.040671 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Na+",
"Th4+",
"O2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250262 | Th4Zn2AgAu5 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.715450337180921,0.0,0.0],[0.0,6.970995051159913,0.032125208376831],[0.0,0.006552931181095001,8.169234447228574]],"pbc":[true,true,true],"a":4.715450337180921,"b":6.971069073844359,"c":8.16923707543691,"alpha":89.68999972642132,"beta":90.0,"gamma":90.0,"volume":268.5330250333607},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.502777812473667,0.761613396418624],"properties":{"magmom":0.0},"label":"Th","xyz":[2.3577251685904606,3.509852442760271,6.237950235486738]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.9993990662895691,0.7439688786004901],"properties":{"magmom":0.0},"label":"Th","xyz":[2.3577251685904606,6.97168112210077,6.1097620939852995]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.49170144991796805,0.23884760392018403],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,3.4292135259375676,1.9669980851205786]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.005548715808529001,0.255153370699716],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.040352072920368104,2.0845859588981748]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7303315180297361,0.42035150110603303],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.3577251685904606,5.093891932350015,3.4574120149805174]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.269644854542271,0.57913441529827],"properties":{"magmom":0.0},"label":"Zn","xyz":[0.0,1.883487974552959,4.7397472121701165]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.764091394044847,0.9149430229495651],"properties":{"magmom":0.0},"label":"Ag","xyz":[0.0,5.33247288518452,7.498930655583664]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7573550664632971,0.09751383415817101],"properties":{"magmom":0.0},"label":"Au","xyz":[2.3577251685904606,5.280157421730975,0.8209435624116471]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.26295518738970003,0.431691098037546],"properties":{"magmom":0.0},"label":"Au","xyz":[2.3577251685904606,1.8358881520273578,3.535033278838911]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.23974754669455903,0.8993920134270531],"properties":{"magmom":0.0},"label":"Au","xyz":[0.0,1.677172615504315,7.355046157545943]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.738043133029272,0.571391580221934],"properties":{"magmom":0.0},"label":"Au","xyz":[0.0,5.148639317592264,4.691541569445047]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.23840225531657902,0.08600028516242701],"properties":{"magmom":0.0},"label":"Au","xyz":[2.3577251685904606,1.6624644959474584,0.7102152141499307]}]} | false | -49.469816 | -49.469816 | -0.636238 | 0 | true | -0.02694 | 0 | null | null | 7.869345 | false | true | false | NM | 0.000556 | 0.000002 | 0.000556 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250263 | CsTbHgSe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.358487729108498,0.020786743471485,0.0],[-7.270655652854696,4.123387275505153,0.0],[0.0,0.0,11.119155751057054]],"pbc":[true,true,true],"a":8.358513576369992,"b":8.358513997486979,"c":11.119155751057054,"alpha":90.0,"beta":90.0,"gamma":150.29875578590688,"volume":384.9053121364624},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7446515485281461,0.255348451471803,0.25],"properties":{"magmom":0.0},"label":"Cs","xyz":[4.367610168692993,1.0683794363336763,2.7797889377642635]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25534845147185303,0.744651548528196,0.75],"properties":{"magmom":0.0},"label":"Cs","xyz":[-3.2797780924391913,3.075794582642958,8.339366813292791]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,5.559577875528527]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45411883378960705,0.545881166210477,0.25],"properties":{"magmom":0.0},"label":"Hg","xyz":[-0.1731672871076263,2.260319106393749,2.7797889377642635]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5458811662103921,0.45411883378952206,0.75],"properties":{"magmom":0.0},"label":"Hg","xyz":[1.260999363361428,1.8838549125828852,8.339366813292791]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.060380553527899006,0.939619446471148,0.25],"properties":{"magmom":-0.0},"label":"Se","xyz":[-6.32695932427793,3.875669984473178,2.7797889377642635]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9396194464721,0.06038055352885101,0.75],"properties":{"magmom":-0.0},"label":"Se","xyz":[7.4147914005317315,0.2685040345034563,8.339366813292791]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.619353997270884,0.380646002725946,0.541734131629212],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.409316774707039,1.5824252367713743,6.023626185248852]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.619353997270884,0.380646002725946,0.9582658683707871],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.409316774707039,1.5824252367713743,10.65510744133672]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38064600272911503,0.619353997274053,0.041734131629205],"properties":{"magmom":-0.0},"label":"Se","xyz":[-1.3214846984532378,2.56174878220526,0.4640483097202469]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38064600272911503,0.619353997274053,0.45826586837078703],"properties":{"magmom":-0.0},"label":"Se","xyz":[-1.3214846984532378,2.56174878220526,5.095529565808191]}]} | false | -26.220669 | -26.220669 | -1.447773 | 0 | true | -0.077147 | 1.814 | 3.219 | 1.405 | 1.471479 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Hg2+",
"Se2-",
"Cs+",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250264 | CeY3(AsPt)4 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.284081605706673,4.162659e-10,0.0],[-2.142041302193374,3.7101245689307962,0.0],[0.0,0.0,15.51143153872463]],"pbc":[true,true,true],"a":4.284081605706673,"b":4.284082778995548,"c":15.51143153872463,"alpha":90.0,"beta":90.0,"gamma":119.9999986461833,"volume":246.54608285641186},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.855},"label":"Ce","xyz":[0.0,0.0,7.755715769362315]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.006},"label":"Y","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.24836626976199402],"properties":{"magmom":0.007},"label":"Y","xyz":[0.0,0.0,3.8525163899415835]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.7516337302380051],"properties":{"magmom":0.007},"label":"Y","xyz":[0.0,0.0,11.658915148783032]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.88449172615698],"properties":{"magmom":-0.005},"label":"As","xyz":[-2.474934306160856e-6,2.4734176161341277,13.719732856852367]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.11550827384301901],"properties":{"magmom":-0.005},"label":"As","xyz":[2.142042778447603,1.2367069532129311,1.7916986818722462]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.37918714756361904],"properties":{"magmom":-0.011},"label":"As","xyz":[2.142042778447603,1.2367069532129311,5.88173547979735]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6208128524363871],"properties":{"magmom":-0.011},"label":"As","xyz":[-2.474934306160856e-6,2.4734176161341277,9.629696058927374]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.357967665793737],"properties":{"magmom":-0.012},"label":"Pt","xyz":[-2.474934306160856e-6,2.4734176161341277,5.55259094103661]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.642032334206263],"properties":{"magmom":-0.012},"label":"Pt","xyz":[2.142042778447603,1.2367069532129311,9.95884059768802]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8659555078317631],"properties":{"magmom":-0.007},"label":"Pt","xyz":[2.142042778447603,1.2367069532129311,13.432209575313912]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.13404449216823602],"properties":{"magmom":-0.007},"label":"Pt","xyz":[-2.474934306160856e-6,2.4734176161341277,2.0792219634107028]}]} | false | -31.112878 | -31.112878 | -1.399343 | 0 | true | -0.025235 | 0 | null | null | 7.16705 | false | true | true | FM | 0.883453 | 0.003583 | 0.883453 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250265 | NaThCuSe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.059598973680972,0.15609555892877602,0.0],[-5.929808264589343,3.8340175332957283,0.0],[0.0,0.0,10.93037036104695]],"pbc":[true,true,true],"a":7.061324485726082,"b":7.061325406778187,"c":10.93037036104695,"alpha":90.0,"beta":90.0,"gamma":145.84796328053898,"volume":305.965582991759},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24692456972602603,0.753075430272467,0.75],"properties":{"magmom":0.0},"label":"Na","xyz":[-2.7224044712743813,2.925848232283495,8.197777770785212]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7530754302739731,0.24692456972753202,0.25],"properties":{"magmom":0.0},"label":"Na","xyz":[3.8521951803660093,1.0642648599410056,2.7325925902617376]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,5.465185180523475]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.526774578448282,0.47322542155063,0.75],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.9126812576500164,1.8965817356787327,8.197777770785212]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47322542155171704,0.526774578449369,0.25],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.21710945144161134,2.093531356545768,2.7325925902617376]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08075105370784201,0.9192489462938901,0.25],"properties":{"magmom":0.0},"label":"Se","xyz":[-4.880899943069016,3.537021458417011,2.7325925902617376]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637647399392761,0.362352600604737,0.9247252697863141],"properties":{"magmom":0.0},"label":"Se","xyz":[2.3528534805620662,1.4888001511615594,10.107589680983473]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.919248946292157,0.08075105370610901,0.75],"properties":{"magmom":0.0},"label":"Se","xyz":[6.010690652160644,0.4530916338074896,8.197777770785212]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637647399392761,0.362352600604737,0.575274730213685],"properties":{"magmom":0.0},"label":"Se","xyz":[2.3528534805620662,1.4888001511615594,6.287965860586944]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362352600607238,0.637647399395262,0.07527473021368501],"properties":{"magmom":0.0},"label":"Se","xyz":[-1.2230627714704378,2.501312941062941,0.822780680063468]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362352600607238,0.637647399395262,0.42472526978631403],"properties":{"magmom":0.0},"label":"Se","xyz":[-1.2230627714704378,2.501312941062941,4.642404500459997]}]} | false | -23.25991 | -23.25991 | -1.456424 | 0 | true | -0.019503 | 1.8812 | 4.8451 | 2.9639 | 3.076205 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Na+",
"Th4+",
"Se2-",
"Cu+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250266 | SmTh(NiH4)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.146587610713753,0.014886127570791002,0.0],[-4.96942654883351,3.617399304661061,0.0],[0.0,0.0,4.775315280452446]],"pbc":[true,true,true],"a":6.146605636688745,"b":6.146607027752275,"c":4.775315280452446,"alpha":90.0,"beta":90.0,"gamma":143.8092067319803,"volume":106.53077642523641},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.865924610591378,0.134075389414995,0.75],"properties":{"magmom":-0.0},"label":"Sm","xyz":[4.656203683569028,0.49789448466191466,3.5814864603393346]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.132159556467492,0.8678404435264611,0.25],"properties":{"magmom":0.0},"label":"Th","xyz":[-3.500339047791333,3.1412927609866412,1.1938288201131115]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5916832486277951,0.40831675136872203,0.75],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.6077328208972916,1.4858526048032519,3.5814864603393346]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40768543021304204,0.592314569789479,0.25],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-0.4375895339567452,2.148707170219981,1.1938288201131115]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08514695140328801,0.9148530485914391,0.75],"properties":{"magmom":0.0},"label":"H","xyz":[-4.0229318313660745,3.310656290222577,3.5814864603393346]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9158624647559891,0.084137535243648,0.25],"properties":{"magmom":-0.0},"label":"H","xyz":[5.211313577593724,0.31799270697392457,1.1938288201131115]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.690949728169421,0.309050271831878,0.505794798692043],"properties":{"magmom":-0.0},"label":"H","xyz":[2.7111804130266504,1.1282438042284808,2.415329630967482]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.308890216519323,0.691109783481159,0.49481243216423804],"properties":{"magmom":-0.0},"label":"H","xyz":[-1.5357985282614908,2.504618229377677,2.3628853682717255]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.690949728169421,0.309050271831878,0.9942052013079561],"properties":{"magmom":-0.0},"label":"H","xyz":[2.7111804130266504,1.1282438042284808,4.747643289711183]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.308890216519323,0.691109783481159,0.005187567835761],"properties":{"magmom":-0.0},"label":"H","xyz":[-1.5357985282614908,2.504618229377677,0.02477227195449313]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5009284242817671,0.49907157571959,0.004108137651897],"properties":{"magmom":-0.0},"label":"H","xyz":[0.598900908395568,1.8127980554118386,0.01961765250330578]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5009284242817671,0.49907157571959,0.49589186234810206],"properties":{"magmom":-0.0},"label":"H","xyz":[0.598900908395568,1.8127980554118386,2.368039987722913]}]} | false | -13.404015 | -13.404015 | -0.502972 | 0 | true | -0.035864 | 0 | null | null | 6.080998 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"Th3+",
"Sm3+",
"Ni+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250267 | EuScCuSe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.91339698332308,0.009059445180855,0.0],[-5.779286695670997,3.794073405253544,0.0],[0.0,0.0,10.1659147669699]],"pbc":[true,true,true],"a":6.913402919154043,"b":6.913403482743649,"c":10.1659147669699,"alpha":90.0,"beta":90.0,"gamma":146.64021578273207,"volume":267.1835481335049},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.245659420139361,0.754340579862621,0.25],"properties":{"magmom":6.79},"label":"Eu","xyz":[-2.6612093830884356,2.864249070610221,2.541478691742475]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7543405798606381,0.24565942013737901,0.75],"properties":{"magmom":6.79},"label":"Eu","xyz":[3.795319670740512,0.9388837798241785,7.624436075227425]},{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.03},"label":"Sc","xyz":[0.0,0.0,5.08295738348495]},{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.03},"label":"Sc","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.527469825004651,0.47253017499581,0.25],"properties":{"magmom":-0.006},"label":"Cu","xyz":[0.9157209433247344,1.7975927540955907,2.541478691742475]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47253017499534805,0.527469825004189,0.75],"properties":{"magmom":-0.006},"label":"Cu","xyz":[0.21838934432734758,2.005540096338805,7.624436075227425]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.636018336125133,0.363981663875449,0.441031388008347],"properties":{"magmom":-0.021},"label":"Se","xyz":[2.2934928588020846,1.38673512415992,4.483487500051287]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.363981663874867,0.63601833612455,0.558968611991652],"properties":{"magmom":-0.021},"label":"Se","xyz":[-1.1593825711499952,2.4163977262744756,5.682427266918604]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.636018336125133,0.363981663875449,0.05896861199165201],"properties":{"magmom":-0.021},"label":"Se","xyz":[2.2934928588020846,1.38673512415992,0.5994698834336535]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.363981663874867,0.63601833612455,0.9410313880083471],"properties":{"magmom":-0.021},"label":"Se","xyz":[-1.1593825711499952,2.4163977262744756,9.566444883536237]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9210301762217621,0.078969823778614,0.25],"properties":{"magmom":-0.016},"label":"Se","xyz":[5.911057989917828,0.3079613306073926,2.541478691742475]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07896982377823701,0.921030176221385,0.75],"properties":{"magmom":-0.016},"label":"Se","xyz":[-4.776947702265746,3.495171519827003,7.624436075227425]}]} | false | -18.958409 | -18.958409 | -1.674934 | 0 | true | -0.030667 | 0.1983 | 4.9655 | 4.7672 | 4.86635 | false | false | true | FM | 13.998378 | 0.052392 | 6.999189 | 2 | 1 | [
"Cu+",
"Eu2+",
"Se2-",
"Sc3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250268 | Tb4Pr(TcB3)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.2339614157895324,-0.0025370138555220003,6.900947263382473],[2.319149600175701,4.692109326690355,6.900947263844152],[-0.004086664470705,-0.002537014569013,8.661259708459914]],"pbc":[true,true,true],"a":8.661260397332418,"b":8.661259604697682,"c":8.66126104413558,"alpha":37.205195154743045,"beta":37.205203925390954,"gamma":37.2051973967963,"volume":212.94037044822107},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.579848372612175,0.579848372611941,0.5798483726125241],"properties":{"magmom":-0.0},"label":"Tb","xyz":[4.377289485023239,2.7177697900741573,13.025223427300535]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.420151627387824,0.42015162738805806,0.420151627387475],"properties":{"magmom":-0.0},"label":"Tb","xyz":[3.1717348664712834,1.9692655081916584,9.437930808385984]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.753379186887812,0.7533791868879831,0.7533791868875851],"properties":{"magmom":-0.0},"label":"Tb","xyz":[5.687277827725638,3.5311148419227805,16.923272873016252]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24662081311218703,0.24662081311201603,0.24662081311241402],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.8617465237688835,1.1559204563430356,5.539881362670268]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8871929805177171,0.8871929805176461,0.887192980517831],"properties":{"magmom":-0.0},"label":"Tc","xyz":[6.697441414403092,4.158304816059866,19.92915275818842]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11280701948228201,0.11280701948235301,0.11280701948216801],"properties":{"magmom":-0.0},"label":"Tc","xyz":[0.8515829370914298,0.5287304822059492,2.5340014774980997]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49999999999987904,0.830190819108587,0.169809180891618],"properties":{"magmom":-0.0},"label":"B","xyz":[4.541623460953001,3.8936467699784716,10.650338109869493]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16980918089174601,0.499999999999971,0.8301908191082311],"properties":{"magmom":-0.0},"label":"B","xyz":[2.0449567895976517,2.343517648897186,11.812816125969444]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8301908191083741,0.169809180891441,0.500000000000149],"properties":{"magmom":-0.0},"label":"B","xyz":[4.736956276691132,0.793388528523068,11.231577117690842]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.50000000000012,0.169809180891412,0.8301908191083811],"properties":{"magmom":-0.0},"label":"B","xyz":[3.0074008905415197,0.7933885282873437,11.812816125817026]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8301908191082531,0.5000000000000281,0.16980918089176802],"properties":{"magmom":-0.0},"label":"B","xyz":[5.5040675618968695,2.3435176493686303,10.650338109717074]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16980918089162603,0.8301908191085581,0.49999999999985006],"properties":{"magmom":-0.0},"label":"B","xyz":[2.812068074803394,3.8936467697427477,11.231577117995684]}]} | false | -19.80694 | -19.80694 | -0.551775 | 0 | true | -0.075538 | 0 | null | null | 5.540899 | false | true | false | NM | 0.000041 | 0 | 0.000041 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250269 | Cs6YTmBi4 | 23 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[10.016087504940554,0.039619530636853,3.553598919823007],[-5.9016962472277115,6.003550863194755,-6.486834785415636],[0.093825202597452,-0.039619484445489,10.627383702655678]],"pbc":[true,true,true],"a":10.627871089583342,"b":10.62787218095826,"c":10.62787171712482,"alpha":128.12220344278964,"beta":69.96117649401678,"gamma":136.4951521940994,"volume":637.7626471516176},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.0],"properties":{"magmom":-0.0},"label":"Cs","xyz":[1.0285978144282106,1.510792598457902,-0.7333089663981571]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.0],"properties":{"magmom":-0.0},"label":"Cs","xyz":[3.085793443284632,4.532377795373706,-2.1999268991944714]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31853464090030303,0.785257104111273,0.10061698924496901],"properties":{"magmom":0.0},"label":"Cs","xyz":[-1.4344376584294942,4.722964764940753,-2.8925933909019617]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18146535909720202,0.282084348349428,0.46672246321332905],"properties":{"magmom":0.0},"label":"Cs","xyz":[0.19658710544531438,1.682206002009577,3.7750592399953873]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8153618851350891,0.714743895884261,0.5332785367874631],"properties":{"magmom":0.0},"label":"Cs","xyz":[3.99856958839224,4.302177367594005,3.928399178626539]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.684638114867404,0.21791465165502902,0.8993820107542441],"properties":{"magmom":0.0},"label":"Cs","xyz":[5.655713885212563,1.2997536842278499,10.57743064640624]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7499990000000021,0.499999000000002],"properties":{"magmom":0.0},"label":"Y","xyz":[-1.8753319000158866,4.492752323901168,1.3369613516729548]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.0},"label":"Tm","xyz":[6.083554168197214,1.510792621553584,6.357182344841186]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9006194814570561,0.31202855263975204,0.21898653817684902],"properties":{"magmom":-0.0},"label":"Bi","xyz":[7.1997322530967,1.9002852739364589,3.5036167140925447]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5993805185425101,0.8183690567170451,0.411410071179858],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.2122827648832402,4.920567576767193,1.1935457844009434]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40695998553265805,0.18797144736131302,0.588589928819452],"properties":{"magmom":-0.0},"label":"Bi","xyz":[3.0220210099445275,1.1213000791471288,6.482003858674861]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.093040014467774,0.681630943281881,0.7810124618238411],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-3.0176032011290457,4.064948928540889,4.209118689574099]}]} | false | -37.368019 | -37.368019 | -0.69348 | 0 | true | -0.013632 | 0.6981 | 2.6115 | 1.9134 | 1.984723 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250270 | SrTmCuS3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.7818633370036965,0.021351222804157,0.0],[-5.670420212284849,3.720276502413269,0.0],[0.0,0.0,10.06502208450084]],"pbc":[true,true,true],"a":6.781896946762767,"b":6.781896684431049,"c":10.06502208450084,"alpha":90.0,"beta":90.0,"gamma":146.55134585530752,"volume":255.1631780998434},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251150347356123,0.7488496526432511,0.25],"properties":{"magmom":0.0},"label":"Sr","xyz":[-2.5430248735005456,2.7912901335927676,2.51625552112521]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748849652643876,0.251150347356748,0.75],"properties":{"magmom":0.0},"label":"Sr","xyz":[3.6544679982193915,0.950337591624655,7.548766563375629]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.0,0.0,5.03251104225042]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.527202051871093,0.47279794812739306,0.25],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.8944492253893137,1.7701955052798564,2.51625552112521]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.472797948128906,0.527202051872606,0.75],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.21699389932953228,1.9714322199375662,7.548766563375629]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6346001271930101,0.365399872806897,0.43339119662623904],"properties":{"magmom":-0.0},"label":"S","xyz":[2.2318005119376156,1.3729380494955405,4.3620919652713415]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36539987280698905,0.6346001271931031,0.5666088033737601],"properties":{"magmom":-0.0},"label":"S","xyz":[-1.1203573872187749,2.368689675721886,5.702930119229489]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6346001271930101,0.365399872806897,0.06660880337376],"properties":{"magmom":-0.0},"label":"S","xyz":[2.2318005119376156,1.3729380494955405,0.6704190769790684]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36539987280698905,0.6346001271931031,0.933391196626239],"properties":{"magmom":-0.0},"label":"S","xyz":[-1.1203573872187749,2.368689675721886,9.394603007521761]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.924902381888237,0.07509761811027,0.25],"properties":{"magmom":-0.0},"label":"S","xyz":[5.846726502408303,0.2991317008706339,2.51625552112521]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07509761811176201,0.92490238188973,0.75],"properties":{"magmom":-0.0},"label":"S","xyz":[-4.735283377689462,3.442496024346792,7.548766563375629]}]} | false | -16.137389 | -16.137389 | -1.934786 | 0 | true | -0.052809 | 1.5644 | 5.5408 | 3.9764 | 4.028719 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Tm3+",
"Cu+",
"Sr2+",
"S2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250271 | YbCo3NiO8 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.880993773698225,-0.001631447731055,2.719420804879242],[1.6851114682020492,4.580885107838955,2.719420802211845],[-0.21223966764905203,-0.148017285116914,6.158709977585224]],"pbc":[true,true,true],"a":5.587428066160011,"b":5.587428615292485,"c":6.164143361508147,"alpha":62.85760884291179,"beta":62.8576084281984,"gamma":59.99339453632925,"volume":141.65249799320256},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.1769327871256112,2.215618187495493,5.798775792338155]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Co","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":-0.0},"label":"Co","xyz":[2.4404968868491124,-0.0008157238655275,1.359710402439621]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":-0.0},"label":"Co","xyz":[0.8425557341010246,2.2904425539194775,1.3597104011059225]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.283052620950137,2.28962683005395,2.7194208035455434]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27245990114067803,0.272459901136869,0.17924533141673002],"properties":{"magmom":-0.0},"label":"O","xyz":[1.7509574155134866,1.221131592187452,2.585786257609271]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7692929712070861,0.27323533943184203,0.1855723249543],"properties":{"magmom":-0.0},"label":"O","xyz":[4.1759603980331095,1.2229367243336855,3.977959306158018]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.273235339436318,0.7692929712070501,0.185572324953959],"properties":{"magmom":-0.0},"label":"O","xyz":[2.590618590158128,3.496129034460471,3.977959304844809]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7702314512863281,0.7702314512906551,0.186591112672147],"properties":{"magmom":0.0},"label":"O","xyz":[5.017818734035102,3.4994664825282835,5.33832741170068]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22976854871367103,0.22976854870934402,0.8134088873278521],"properties":{"magmom":0.0},"label":"O","xyz":[1.3360468402161136,0.9317698924626983,6.25922417297562]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.726764660563681,0.23070702879294902,0.8144276750460401],"properties":{"magmom":-0.0},"label":"O","xyz":[3.763246984093088,0.9351073405305105,7.61959227983149]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23070702879291302,0.726764660568157,0.814427675045699],"properties":{"magmom":-0.0},"label":"O","xyz":[2.177905176218107,3.2082996506572963,7.619592278518282]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.727540098859321,0.7275400988631301,0.8207546685832691],"properties":{"magmom":-0.0},"label":"O","xyz":[4.602908158737729,3.2101047828035303,9.01176532706703]}]} | false | -12.176329 | -12.176329 | -1.715248 | 0.02488 | false | null | 0.5403 | 4.4712 | 3.9309 | 4.093684 | false | false | false | NM | 0.000094 | 0.000001 | 0.000094 | 0 | 0 | [
"Co4+",
"Yb3+",
"O2-",
"Ni2+",
"Co3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250272 | BaTmAgTe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.883242288871519,-0.0021662396958290002,0.0],[-6.591898151062264,4.323468568047652,0.0],[0.0,0.0,11.414037463192027]],"pbc":[true,true,true],"a":7.8832425865025035,"b":7.883241826360149,"c":11.414037463192027,"alpha":90.0,"beta":90.0,"gamma":146.7558322938995,"volume":388.86108276406816},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755921971845531,0.24407802815549903,0.25],"properties":{"magmom":0.0},"label":"Ba","xyz":[4.350178553026678,1.0536261746989888,2.853509365798007]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24407802815446902,0.7559219718445,0.75],"properties":{"magmom":0.0},"label":"Ba","xyz":[-3.058834415217417,3.26767615365283,8.56052809739402]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,5.707018731596014]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.467966969425731,0.5320330305751211,0.25],"properties":{"magmom":-0.0},"label":"Ag","xyz":[0.18198945261977445,2.2992143562291645,2.853509365798007]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5320330305742681,0.46796696942487803,0.75],"properties":{"magmom":-0.0},"label":"Ag","xyz":[1.1093546851894796,2.0220879721226543,8.56052809739402]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635917429015954,0.36408257098396,0.9513590124737871],"properties":{"magmom":-0.0},"label":"Te","xyz":[2.61309594214586,1.5727220022451252,10.858847409321177]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07805723924016601,0.9219427607589231,0.25],"properties":{"magmom":-0.0},"label":"Te","xyz":[-5.462008650701346,3.985821456990091,2.853509365798007]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.364082570984045,0.6359174290160391,0.451359012473787],"properties":{"magmom":-0.0},"label":"Te","xyz":[-1.3217518043366063,2.7485803261066937,5.151828677725162]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.364082570984045,0.6359174290160391,0.048640987526212],"properties":{"magmom":-0.0},"label":"Te","xyz":[-1.3217518043366063,2.7485803261066937,0.5551900538708399]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635917429015954,0.36408257098396,0.548640987526212],"properties":{"magmom":-0.0},"label":"Te","xyz":[2.61309594214586,1.5727220022451252,6.262208785466854]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9219427607598331,0.078057239241076,0.75],"properties":{"magmom":-0.0},"label":"Te","xyz":[6.7533527885105995,0.3354808713617277,8.56052809739402]}]} | false | -27.974373 | -27.974373 | -1.436342 | 0 | true | -0.016737 | 1.082 | 5.5361 | 4.4541 | 4.551842 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Tm3+",
"Ag+",
"Te2-",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250273 | Yb2NbN3 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.55291218919187,-0.0000623400436213,-0.9469201446625161],[-3.012928219509823,4.664448361975151,-0.9469201399375101],[0.027316493226672,0.050162923607684005,5.784720722335876]],"pbc":[true,true,true],"a":5.63307123558096,"b":5.633069565420844,"c":5.785002709172154,"alpha":99.40647459907159,"beta":99.40646608151741,"gamma":119.93417358481959,"volume":150.35807388993697},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8365925260557241,0.163407473944019,0.49999999999989303],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.16684809241023,0.7872350327619457,1.9454402172771477]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16340747394427502,0.8365925260559731,0.500000000000106],"properties":{"magmom":-0.0},"label":"Yb","xyz":[-1.5995476295014917,3.9273139127772314,1.9454402204587047]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.2836502314543596,2.357274472769607,1.9454402188679247]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.332523496678689,0.6674765033201591,0.999999999999687],"properties":{"magmom":0.0},"label":"Nb","xyz":[-0.1372685215865911,3.163551876646998,4.83780058082647]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.667476503321303,0.33252349667984005,3.126e-13],"properties":{"magmom":0.0},"label":"Nb","xyz":[2.704568984495269,1.5509970688922121,-0.9469201430906147]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43468315913249,0.073105338285905,0.21966328360981802],"properties":{"magmom":-0.0},"label":"N","xyz":[2.1994967066636946,0.3519879297673595,0.7898555915460918]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9268946617142361,0.565316840866231,0.7803367163899181],"properties":{"magmom":-0.0},"label":"N","xyz":[3.4650216649476344,2.6759774008143533,3.1010248444808517]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.56531684086751,0.9268946617140941,0.7803367163901811],"properties":{"magmom":-0.0},"label":"N","xyz":[0.3678037562450278,4.36256101577185,3.1010248461897536]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.073105338285763,0.43468315913376904,0.21966328361008103],"properties":{"magmom":-0.0},"label":"N","xyz":[-0.8977212020389199,2.038571544724861,0.7898555932549939]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7118978061198361,0.7118978061196941,0.21912073740814],"properties":{"magmom":-0.0},"label":"N","xyz":[1.8141946257358625,3.3315579127198878,-0.0806684733696049]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.288102193880163,0.288102193880305,0.780879262591859],"properties":{"magmom":-0.0},"label":"N","xyz":[0.7531058371728546,1.3829910328193225,3.9715489111054505]}]} | false | -22.571066 | -22.571066 | -1.707885 | 0 | true | -0.402126 | 0 | null | null | 6.171787 | false | true | false | NM | 0.00009 | 0.000001 | 0.000045 | 0 | 0 | [
"N3-",
"Nb3+",
"Yb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250274 | Rb4PrUSe6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.645303184947991,0.007691202635336,1.210297401873095],[-4.106476504564954,6.448842200379053,1.2102973998045201],[0.005115940067729001,0.009334374762129,8.333117711921561]],"pbc":[true,true,true],"a":7.740512886453626,"b":7.740512567259828,"c":8.333124510298392,"alpha":80.96915142168476,"beta":80.96915422517971,"gamma":119.91508937246705,"volume":410.9411953961784},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500135366576529,0.49986463342348403,0.0],"properties":{"magmom":-0.0},"label":"Rb","xyz":[1.7710041383761577,3.2273947849478075,1.2102974008391032]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6546980115476511,0.34530198845230503,0.5000000000000211],"properties":{"magmom":-0.002},"label":"Rb","xyz":[3.5899482603392885,2.2365006374588545,5.376856257119715]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34673530665583,0.6532646933442471,0.49999999999996403],"properties":{"magmom":-0.002},"label":"Rb","xyz":[-0.029161600136380177,4.220134921341441,5.376856256482342]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.998558930622721,0.00144106937725,0.5000000000000211],"properties":{"magmom":-0.002},"label":"Rb","xyz":[7.630926025142888,0.021640535473492227,5.376856257831036]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8320146105210711,0.16798538947893601,7.1e-15],"properties":{"magmom":-0.001},"label":"Pr","xyz":[5.671175896734564,1.0897104616839517,1.2102974015256722]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.167545830361461,0.832454169638523,0.9999999999999921],"properties":{"magmom":1.455},"label":"U","xyz":[-2.132398878192761,5.378988582740555,9.543415112072578]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8195228250321801,0.798719070025796,0.199433658220385],"properties":{"magmom":-0.049},"label":"Se","xyz":[2.9865996601901443,5.158977949647483,3.6204581092082533]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.201280929974217,0.180477174967713,0.8005663417796071],"properties":{"magmom":-0.049},"label":"Se","xyz":[0.8018241058107887,1.1728897008121597,7.133254404433777]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.408744452794287,0.040676849533127,0.20358278301087301],"properties":{"magmom":-0.051000000000000004},"label":"Se","xyz":[2.958978257207182,0.26736263825194945,2.2404127294193388]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.547173889864737,0.9357323044175411,0.7961928320685131],"properties":{"magmom":-0.05},"label":"Se","xyz":[0.3448208350614195,6.046030360526941,8.429526103240844]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9593231504668581,0.5912555472056621,0.796417216989134],"properties":{"magmom":-0.051000000000000004},"label":"Se","xyz":[4.9104137476158884,3.827726129541481,8.513299784941193]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.064267695582472,0.452826110135404,0.20380716793147902],"properties":{"magmom":-0.05},"label":"Se","xyz":[-1.3671310989421266,2.9226008368289977,2.3241864095546916]}]} | false | -22.587867 | -22.587867 | -1.6763 | 0 | true | -0.030474 | 1.3075 | 2.323 | 1.0155 | 1.101411 | false | false | true | FM | 1.000001 | 0.002433 | 1.000001 | 1 | 1 | [
"U5+",
"Rb+",
"Se2-",
"Pr3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250275 | PrNd3B4Br5 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.964735019965191,-0.092841471673915,2.536822044686822],[7.996394749371758,4.053733012336206,2.536822045992967],[-0.05626159336500901,-0.013139115237148,9.769697792487971]],"pbc":[true,true,true],"a":9.317218447769802,"b":9.31721774008317,"c":9.76986862551291,"alpha":74.52961383002373,"beta":74.52961376704118,"gamma":26.418640204726778,"volume":362.9141865823234},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8603355189978,0.8603355189949651,0.07067250393008301],"properties":{"magmom":-0.0},"label":"Pr","xyz":[14.588286235190669,3.4067671051449606,5.055485227593255]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5053336207272351,0.505333620727043,0.743174366606417],"properties":{"magmom":0.0},"label":"Nd","xyz":[8.52921694394869,1.9918070099058371,9.824471907492429]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49665088379620603,0.49665088379627703,0.255483072414158],"properties":{"magmom":0.0},"label":"Nd","xyz":[8.409386205392096,1.9638234627615405,5.01582223028634]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.140363606955723,0.140363606958352,0.9281861921168111],"properties":{"magmom":-0.0},"label":"Nd","xyz":[2.3285041183813546,0.5437694780786748,9.7802535771255]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31597566329554605,0.685849277822498,0.9993542848800341],"properties":{"magmom":-0.0},"label":"B","xyz":[8.260734393839048,2.73778358229073,12.304840947347014]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.685849277822519,0.315975663295439,0.9993542848799911],"properties":{"magmom":-0.0},"label":"B","xyz":[8.618897909814782,1.2040750899842405,12.304840946863267]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000614184988727,0.0006141849875190001,0.099475653427816],"properties":{"magmom":0.0},"label":"B","xyz":[0.004820612523643407,0.001125698047674959,0.974963227735607]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001415632476529,0.0014156324776450002,0.899074434703898],"properties":{"magmom":0.0},"label":"B","xyz":[-0.02657263410116586,-0.00620587589885372,8.790867935360989]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.677903084076746,0.677903084074927,0.695410326818873],"properties":{"magmom":-0.0},"label":"Br","xyz":[11.458877287015568,2.6759635146799114,10.233387711370655]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.323939157277486,0.32393915727958905,0.307543058312767],"properties":{"magmom":-0.0},"label":"Br","xyz":[5.477071221480885,1.2790470240746346,4.648154728959282]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32637611416272705,0.32637611416398404,0.860471923089363],"properties":{"magmom":-0.0},"label":"Br","xyz":[5.487296104497135,1.2814345499106699,10.06246689046797]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.674885488763955,0.674885488762619,0.13452499924103],"properties":{"magmom":-0.0},"label":"Br","xyz":[11.439251763552425,2.671380683888164,4.738397360068929]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0046557666588,0.004655766659141,0.49747689957873503],"properties":{"magmom":0.0},"label":"Br","xyz":[0.050978219445801665,0.011904580464136678,4.883820670624997]}]} | false | -17.886317 | -17.886317 | -1.475717 | 0 | true | -0.051587 | 0 | null | null | 3.127229 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Nd3+",
"B2-",
"Pr3+",
"Br-",
"B-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250276 | Dy4Th(B3Ru)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.180306899612192,-1.8970491000000003e-9,1.8289011216102111],[2.267308643956489,4.657777700038986,1.828901121303051],[-0.058310931641562,-0.036467678706473,8.416142773589257]],"pbc":[true,true,true],"a":5.493674443102427,"b":5.493674626463042,"c":8.416423779835341,"alpha":70.95163213809347,"beta":70.95163318055397,"gamma":59.999991301614926,"volume":203.76174835600412},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249227875187145,0.249227875187074,0.25231637443932403],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.841440594272237,1.15164664632622,3.035156912251674]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750772124812854,0.7507721248129251,0.747683625560675],"properties":{"magmom":0.0},"label":"Dy","xyz":[5.547864017654875,3.4696633731092397,9.038788104250834]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.416938021547956,0.41693802154798404,0.749185935355825],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.061508360122041,1.9146835462916576,7.830332626293618]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.583061978452043,0.583061978452015,0.250814064644174],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.32779625180507,2.706626473143802,4.24361239020889]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17182542846630602,0.828174571533658,0.499999999999978],"properties":{"magmom":-0.0},"label":"B","xyz":[2.738680351535271,3.8392192113496173,6.036972508150207]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8281745715334451,0.499999999999694,0.500000000000213],"properties":{"magmom":-0.0},"label":"B","xyz":[5.394697303154833,2.310655009093736,6.637171350213961]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000000000248,0.17182542846665402,0.49999999999980804],"properties":{"magmom":-0.0},"label":"B","xyz":[2.950579263200583,0.782090808709871,5.436773666389613]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17182542846655402,0.5000000000003051,0.49999999999978606],"properties":{"magmom":-0.0},"label":"B","xyz":[1.9946073087722787,2.310655010341724,5.4367736662885475]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49999999999975103,0.8281745715333451,0.5000000000001911],"properties":{"magmom":-0.0},"label":"B","xyz":[4.438725348726529,3.839219210725589,6.6371713501128955]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8281745715336931,0.17182542846634102,0.5000000000000211],"properties":{"magmom":-0.0},"label":"B","xyz":[4.650624260391841,0.7820908080858421,6.036972508352302]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10991207563642201,0.109912075636394,0.6702627730910321],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.7794992361920546,0.4875030871976924,6.043063830942091]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8900879243635771,0.8900879243636051,0.329737226908967],"properties":{"magmom":-0.0},"label":"Ru","xyz":[6.609805375735057,4.133806932237768,6.030881185560418]}]} | false | -23.470935 | -23.470935 | -0.676345 | 0 | true | -0.042049 | 0 | null | null | 6.326452 | false | true | false | NM | 0.000022 | 0 | 0.000022 | 0 | 0 | [
"Ru2+",
"Dy3+",
"Dy2+",
"Th4+",
"B3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250277 | TbLu(NiP)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.855361670028082,0.0,0.0],[-1.927680835014041,3.338841235054276,0.0],[0.0,0.0,15.24892857325931]],"pbc":[true,true,true],"a":3.855361670028082,"b":3.8553617462670338,"c":15.24892857325931,"alpha":90.0,"beta":90.0,"gamma":119.99999934585536,"volume":196.2909260520555},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.0,0.0,7.624464286629655]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.0},"label":"Lu","xyz":[0.0,0.0,3.8122321433148274]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.0},"label":"Lu","xyz":[0.0,0.0,11.436696429944483]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.134732979102089],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.9276808155953457e-6,2.2258952696499157,2.0545335747901943]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8652670208979101],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.927682762694855,1.1129459654043572,13.194394998469102]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.634732979102089],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.927682762694855,1.1129459654043572,9.67899786141985]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.36526702089791],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.9276808155953457e-6,2.2258952696499157,5.569930711839445]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6248381864498921],"properties":{"magmom":0.0},"label":"P","xyz":[-1.9276808155953457e-6,2.2258952696499157,9.528112875019287]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.375161813550107],"properties":{"magmom":0.0},"label":"P","xyz":[1.927682762694855,1.1129459654043572,5.720815698240009]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.12483818644989202],"properties":{"magmom":0.0},"label":"P","xyz":[1.927682762694855,1.1129459654043572,1.9036485883896315]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.875161813550107],"properties":{"magmom":0.0},"label":"P","xyz":[-1.9276808155953457e-6,2.2258952696499157,13.345279984869663]}]} | false | -19.877578 | -19.877578 | -1.331928 | 0 | true | -0.008173 | 0 | null | null | 6.530998 | false | true | false | NM | 0.000053 | 0 | 0.000027 | 0 | 0 | [
"Ni+",
"P3-",
"Lu3+",
"Tb+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250278 | RbThAgS3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.216316777350866,-4.5354109000000025e-9,0.0],[2.108158879115328,7.300064051596986,0.0],[0.0,0.0,10.750898315339452]],"pbc":[true,true,true],"a":4.216316777350866,"b":7.598372787446757,"c":10.750898315339452,"alpha":90.0,"beta":90.0,"gamma":73.89200428303008,"volume":330.906011961471},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7400391060768641,0.5199247878460931,0.25],"properties":{"magmom":0.0},"label":"Rb","xyz":[4.216323356817513,3.795484249933072,2.687724578834863]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25996289392313005,0.48007521215390603,0.75],"properties":{"magmom":0.0},"label":"Rb","xyz":[2.1081607322822085,3.5045797971284873,8.063173736504588]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,5.375449157669726]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45753595164395405,0.08493109671200401,0.25],"properties":{"magmom":-0.0},"label":"Ag","xyz":[2.108164754804012,0.6200024438948939,2.687724578834863]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5424660483560471,0.9150689032879951,0.75],"properties":{"magmom":-0.0},"label":"Ag","xyz":[4.21631933429574,6.680061603166665,8.063173736504588]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37658374741850703,0.246832505163517,0.045326392797953],"properties":{"magmom":-0.0},"label":"S","xyz":[2.1081585097330606,1.801893096001856,0.4872994399719272]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.060592913831087,0.878814172338032,0.25],"properties":{"magmom":-0.0},"label":"S","xyz":[2.108158819681398,6.415399747244012,2.687724578834863]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37658374741850703,0.246832505163517,0.454673607202046],"properties":{"magmom":-0.0},"label":"S","xyz":[2.1081585097330606,1.801893096001856,4.888149717697789]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6234182525814941,0.753167494836482,0.545326392797953],"properties":{"magmom":-0.0},"label":"S","xyz":[4.216325579366691,5.498170951059703,5.862748597641653]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.93940808616891,0.12118682766197202,0.75],"properties":{"magmom":-0.0},"label":"S","xyz":[4.2163231612604495,0.8846715998816395,8.063173736504588]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6234182525814941,0.753167494836482,0.9546736072020461],"properties":{"magmom":-0.0},"label":"S","xyz":[4.216325579366691,5.498170951059703,10.263598875367515]}]} | false | -23.77267 | -23.77267 | -1.628651 | 0 | true | -0.115774 | 2.9052 | 5.4954 | 2.5902 | 2.622334 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Th4+",
"Rb+",
"Ag+",
"S2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250279 | BaTbCuS3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.082487808046369,-0.004830485358586,0.0],[-5.93658682914457,3.8624601221711172,0.0],[0.0,0.0,10.2632563456925]],"pbc":[true,true,true],"a":7.082489455319666,"b":7.082489772342414,"c":10.2632563456925,"alpha":90.0,"beta":90.0,"gamma":146.99025814855756,"volume":280.4655469668821},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25556976740806103,0.7444302325919521,0.25],"properties":{"magmom":-0.0},"label":"Ba","xyz":[-2.609304952249573,2.8740975611054225,2.565814086423125]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7444302325919381,0.25556976740805404,0.75],"properties":{"magmom":-0.0},"label":"Ba","xyz":[3.755205931151329,0.9835320757071323,7.697442259269375]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,5.13162817284625]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.531402075961182,0.46859792403899503,0.25],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.9817764601512169,1.807373864985336,2.565814086423125]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46859792403881706,0.5314020759610041,0.75],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.16412451875058104,2.050255771827192,7.697442259269375]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6307881570297621,0.36921184296978204,0.434851668019327],"properties":{"magmom":0.0},"label":"S","xyz":[2.275691267484727,1.423019007147186,4.462994141234327]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36921184297023,0.6307881570302101,0.565148331980672],"properties":{"magmom":0.0},"label":"S","xyz":[-1.1297902885829372,2.4346106296653147,5.800262204458164]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6307881570297621,0.36921184296978204,0.065148331980672],"properties":{"magmom":0.0},"label":"S","xyz":[2.275691267484727,1.423019007147186,0.6686340316119136]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36921184297023,0.6307881570302101,0.9348516680193271],"properties":{"magmom":0.0},"label":"S","xyz":[-1.1297902885829372,2.4346106296653147,9.594622314080578]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.934448797723689,0.06555120227692801,0.25],"properties":{"magmom":-0.0},"label":"S","xyz":[6.229071813049813,0.24867506351925442,2.565814086423125]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06555120227631,0.9344487977230711,0.75],"properties":{"magmom":-0.0},"label":"S","xyz":[-5.0831708341480155,3.6089545732932735,7.697442259269375]}]} | false | -17.397351 | -17.397351 | -1.951529 | 0 | true | -0.075854 | 1.3749 | 5.0282 | 3.6533 | 3.895056 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Cu+",
"Tb3+",
"S2-",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250280 | Cs2NaTmSb2 | 72 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.093695961764448,-0.012509525008775,4.7353687258826165],[-4.556009296543994,5.344116981936703,-7.470098386029502],[-0.060904710480706004,0.012509527278336001,10.252575454614687]],"pbc":[true,true,true],"a":10.252764490774872,"b":10.25276435522538,"c":10.25276398463356,"alpha":136.49418710980024,"beta":62.833110243762846,"gamma":136.9937552393802,"volume":499.78350732026536},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32163329478089503,0.7816637824524261,0.10329707723365501],"properties":{"magmom":-0.0},"label":"Cs","xyz":[-0.6427233442893949,4.174571411829597,-3.2569920358283393]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17836670521862102,0.281663782452781,0.460031487671656],"properties":{"magmom":-0.0},"label":"Cs","xyz":[0.3107316910365375,1.5087676966866892,3.4570834897797975]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.821633294781378,0.7183362175472181,0.53996951232834],"properties":{"magmom":-0.0},"label":"Cs","xyz":[4.166050202798496,3.835349300029098,4.060772557263421]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6783677052191021,0.218336217547573,0.8967029227663441],"properties":{"magmom":-0.0},"label":"Cs","xyz":[5.119514392725082,1.169545559867137,10.774842565664851]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Na","xyz":[5.650817291946985,1.3329018653667626,6.810289675211931]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":-0.0},"label":"Na","xyz":[-1.1740353372072367,4.011215118839502,0.7075561192558713]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.0],"properties":{"magmom":0.0},"label":"Tm","xyz":[1.1344216663051134,1.332901864231982,-0.6836824150367213]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.0],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.4032649989153407,3.9987055926959463,-2.051047245110164]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.907888836969,0.22296450798484801,0.130853344953536],"properties":{"magmom":-0.0},"label":"Sb","xyz":[7.232267094207865,1.1818280688678944,3.9752053865463206]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.592111163031496,0.7229645079860411,0.31507667101715203],"properties":{"magmom":-0.0},"label":"Sb","xyz":[2.071456219291884,3.8601413352746543,0.6335960229943512]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40788883696850303,0.277035492013958,0.684924328982845],"properties":{"magmom":-0.0},"label":"Sb","xyz":[2.4053256745431493,1.4839756614411321,6.884260024048878]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.092111163030999,0.7770354920151511,0.869146655046463],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-2.7554851394681212,4.162288915338364,3.542640407921473]}]} | false | -24.249852 | -24.249852 | -0.864058 | 0 | true | -0.08436 | 1.5624 | 3.7094 | 2.147 | 2.155185 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Tm3+",
"Na+",
"Cs+",
"Sb3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250281 | RbThAgTe3 | 11 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.581491643567625,0.0,0.0],[0.0,8.776210362883067,3.380474917685701],[0.0,-0.27853015168848705,11.128552922075102]],"pbc":[true,true,true],"a":4.581491643567625,"b":9.404758317079619,"c":11.132037961883974,"alpha":70.36772866093129,"beta":90.0,"gamma":90.0,"volume":451.77212048626876},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.755430163433885,0.286766291609843],"properties":{"magmom":-0.0},"label":"Rb","xyz":[3.4361187326757188,6.549940970061677,5.745006571998817]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.24456983656611403,0.7132337083901561],"properties":{"magmom":-0.0},"label":"Rb","xyz":[1.1453729108919062,1.9477392411328953,8.764021267761972]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.6938070081944261,0.836018819395498],"properties":{"magmom":0.0},"label":"Th","xyz":[1.1453729108919062,5.856139806576161,11.649076864409361]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.306192991805573,0.163981180604501],"properties":{"magmom":0.0},"label":"Th","xyz":[3.4361187326757188,2.641540404618411,2.8599509753514276]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.081510291724498,0.40830530921844105],"properties":{"magmom":0.0},"label":"Ag","xyz":[1.1453729108919062,0.6016261272023342,4.81939073870957]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.918489708275501,0.591694690781565],"properties":{"magmom":0.0},"label":"Ag","xyz":[3.4361187326757188,7.896054083992235,9.689637101051296]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7563663574051841,0.5475637327295431],"properties":{"magmom":0.0},"label":"Te","xyz":[1.1453729108919062,6.48551725445922,8.650469477679229]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.9132635003426941,0.850211210993087],"properties":{"magmom":-0.0},"label":"Te","xyz":[3.4361187326757188,7.778183138185259,12.548884812624454]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.449691365892313,0.858874535141936],"properties":{"magmom":-0.0},"label":"Te","xyz":[3.4361187326757188,3.707363570888696,11.078201100848474]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.24363364259481501,0.45243626727045605],"properties":{"magmom":0.0},"label":"Te","xyz":[3.4361187326757188,2.012162956735352,5.85855836208156]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.550308634107686,0.14112546485806302],"properties":{"magmom":-0.0},"label":"Te","xyz":[1.1453729108919062,4.790316640305876,3.430826738912315]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.08673649965730501,0.149788789006912],"properties":{"magmom":-0.0},"label":"Te","xyz":[1.1453729108919062,0.7194970730093138,1.9601430271363354]}]} | false | -32.021551 | -32.021551 | -1.185938 | 0 | true | -0.146708 | 1.1791 | 4.6226 | 3.4435 | 3.510788 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Th4+",
"Rb+",
"Ag+",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250282 | Th(VSn)6 | 191 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.536265488804919,3.449103e-9,0.0],[-2.7681332384183572,4.794545320001442,0.0],[0.0,0.0,9.232758905167387]],"pbc":[true,true,true],"a":5.536265488804919,"b":5.536264665926317,"c":9.232758905167387,"alpha":90.0,"beta":90.0,"gamma":120.00001078467551,"volume":245.07320566256112},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.7525213896330241],"properties":{"magmom":0.0},"label":"V","xyz":[1.384066125193281,2.3972726617252724,6.94784856146324]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7525213896330241],"properties":{"magmom":0.0},"label":"V","xyz":[2.7681327444024597,1.7245515e-9,6.94784856146324]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.7525213896330241],"properties":{"magmom":0.0},"label":"V","xyz":[-1.3840666192091786,2.397272660000721,6.94784856146324]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.24747861036697502],"properties":{"magmom":0.0},"label":"V","xyz":[1.384066125193281,2.3972726617252724,2.2849103437041385]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.24747861036697502],"properties":{"magmom":0.0},"label":"V","xyz":[2.7681327444024597,1.7245515e-9,2.2849103437041385]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.24747861036697502],"properties":{"magmom":0.0},"label":"V","xyz":[-1.3840666192091786,2.397272660000721,2.2849103437041385]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.657816202025969],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.0,0.0,6.073458397218654]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.34218379797403004],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.0,0.0,3.159300507948724]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.7681353478633723,1.5981801774514584,4.616379452583693]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[-3.0974768128138845e-6,3.196365145999082,4.616379452583693]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.7681353478633723,1.5981801774514584,0.0]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-3.0974768128138845e-6,3.196365145999082,0.0]}]} | false | -23.786358 | -23.786358 | -0.210218 | 0 | true | -0.012634 | 0 | null | null | 8.649534 | false | true | false | NM | 0.00001 | 0 | 0.00001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250283 | AcAs2AuO8 | 2 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.667675226162521,0.5607837823623041,0.685287696626186],[1.9699247966040851,5.760122661803606,0.34231599958742004],[0.37900315066043705,-0.36736581739974206,8.031573038831628]],"pbc":[true,true,true],"a":4.750925140921412,"b":6.097277837434722,"c":8.048898465634377,"alpha":88.38881252142241,"beta":79.35008590665457,"gamma":64.08550987789428,"volume":205.73519977010108},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":-0.0},"label":"Ac","xyz":[1.174463973632261,2.696378422201932,4.186944519209524]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14494822001906002,0.9112361982714101,0.7485237122811911],"properties":{"magmom":0.0},"label":"As","xyz":[2.755330843496026,5.055134861582616,6.423084828382223]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8550517799809391,0.08876380172858901,0.25147628771880903],"properties":{"magmom":0.0},"label":"As","xyz":[4.2612723299310105,0.8984057651835463,2.6360919066630113]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.0},"label":"Au","xyz":[2.3338376130812604,0.28039189118115204,0.342643848313093]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.294071505853828,0.8061939434835921,0.929557637172649],"properties":{"magmom":-0.0},"label":"O","xyz":[3.313076995943486,4.467198833806239,7.9433067272707545]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.365764093201072,0.707826161005904,0.584087489050375],"properties":{"magmom":0.0},"label":"O","xyz":[3.3230033013164846,4.067706304417217,5.184095182153046]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7059284941461711,0.193806056516407,0.07044236282734301],"properties":{"magmom":-0.0},"label":"O","xyz":[3.7035261774835484,1.4863417929599259,1.1158700077744148]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.634235906798927,0.29217383899409505,0.41591251094962406],"properties":{"magmom":0.0},"label":"O","xyz":[3.6935998721105516,1.8858343223489449,3.8750815528921794]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7999977463751691,0.8689699375377481,0.776920502910265],"properties":{"magmom":-0.0},"label":"O","xyz":[5.740390407616019,5.1685851561245855,7.085584690188825]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08569505678493501,0.19669732309884502,0.7114785072568991],"properties":{"magmom":0.0},"label":"O","xyz":[1.0571282236352413,0.9196842229905923,5.840350005441833]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20000225362483,0.13103006246225102,0.223079497089735],"properties":{"magmom":-0.0},"label":"O","xyz":[1.2762127658110178,0.7849554706415772,1.9735920448564077]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9143049432150641,0.8033026769011541,0.2885214927431],"properties":{"magmom":0.0},"label":"O","xyz":[5.959474949791795,5.03385640377557,3.218826729603393]}]} | false | -18.046674 | -18.046674 | -1.678527 | 0 | true | -0.155199 | 2.5248 | 3.1236 | 0.5988 | 0.604213 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"O2-",
"Au3+",
"Ac3+",
"As5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250284 | NdDy(ZnSi)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.147265954731611,0.0,0.0],[-2.073632977365805,3.591638925126897,0.0],[0.0,0.0,16.337026239478604]],"pbc":[true,true,true],"a":4.147265954731611,"b":4.147267039063878,"c":16.337026239478604,"alpha":90.0,"beta":90.0,"gamma":119.99999135107029,"volume":243.3478776022462},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.0,0.0,8.168513119739302]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,4.084256559869651]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,12.252769679608953]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.142409702749127],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.073632956120336e-6,2.394427147297559,2.326551050568836]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8575902972508721],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.07363505099876,1.197211777829335,14.010475188909753]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.642409702749127],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.07363505099876,1.197211777829335,10.495064170308138]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.35759029725087205],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.073632956120336e-6,2.394427147297559,5.84196206917045]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.622715676938547],"properties":{"magmom":-0.0},"label":"Si","xyz":[-2.073632956120336e-6,2.394427147297559,10.173322353879724]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.37728432306144505],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.07363505099876,1.197211777829335,6.163703885598751]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.12271567693854701],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.07363505099876,1.197211777829335,2.004809234140422]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8772843230614521],"properties":{"magmom":-0.0},"label":"Si","xyz":[-2.073632956120336e-6,2.394427147297559,14.332217005338167]}]} | false | -16.856425 | -16.856425 | -0.728334 | 0 | true | -0.052407 | 0 | null | null | 4.61226 | false | true | false | NM | 0.000002 | 0 | 0.000001 | 0 | 0 | [
"Nd2+",
"Zn2+",
"Dy2+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250285 | SmTm3(NiP)4 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.858597603481913,0.0,0.0],[-1.929298801740956,3.341643600893291,0.0],[0.0,0.0,15.383551580134528]],"pbc":[true,true,true],"a":3.858597603481913,"b":3.858597649637776,"c":15.383551580134528,"alpha":90.0,"beta":90.0,"gamma":119.99999960430607,"volume":198.35640616791096},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Sm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,7.691775790067264]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.254449136726407],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,3.914331419351385]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.7455508632735921],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,11.469220160783129]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.372849570405179],"properties":{"magmom":0.0},"label":"Ni","xyz":[-1.929298782042187e-6,2.2277635144767145,5.735750597959072]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.62715042959482],"properties":{"magmom":0.0},"label":"Ni","xyz":[1.929300731039737,1.1138800864165737,9.647800982175442]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.863452109031797],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.929300731039737,1.1138800864165737,13.282960056266592]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.13654789096820202],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.929298782042187e-6,2.2277635144767145,2.1005915238679216]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8707054483831981],"properties":{"magmom":-0.0},"label":"P","xyz":[-1.929298782042187e-6,2.2277635144767145,13.39454217630709]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.129294551616801],"properties":{"magmom":-0.0},"label":"P","xyz":[1.929300731039737,1.1138800864165737,1.9890094038274244]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.379995051549372],"properties":{"magmom":0.0},"label":"P","xyz":[1.929300731039737,1.1138800864165737,5.845673475705643]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.620004948450635],"properties":{"magmom":0.0},"label":"P","xyz":[-1.929298782042187e-6,2.2277635144767145,9.537878104428993]}]} | false | -19.575338 | -19.575338 | -1.322734 | 0 | true | -0.00263 | 0 | null | null | 6.426404 | false | true | false | NM | 0.000075 | 0 | 0.000075 | 0 | 0 | [
"Sm2+",
"P3-",
"Ni+",
"Tm2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250286 | CeTm4(FeB3)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.06034871605581,-1.03319095e-8,1.8209165622952062],[2.2025559236800842,4.55586120116139,1.820917546908196],[0.029554822721609003,0.018539251368514,7.859706301349825]],"pbc":[true,true,true],"a":5.377998350216247,"b":5.377998195781037,"c":7.859783733339332,"alpha":69.99382997474999,"beta":69.9938427423589,"gamma":59.99998352829893,"volume":180.85794886011504},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ce","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252630641626225,0.25263064162597,0.24210907512179602],"properties":{"magmom":0.0},"label":"Tm","xyz":[1.8419877500005213,1.1554386568003887,2.822945111052621]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.747369358373774,0.74736935837403,0.7578909248781961],"properties":{"magmom":0.0},"label":"Tm","xyz":[5.450471712456976,3.4189617853976055,8.678595299500543]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41433635386635304,0.414336353866666,0.756990938400349],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.0316581598941643,1.9016929598216252,7.458670714803966]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5856636461336461,0.585663646133333,0.24300906159965002],"properties":{"magmom":0.0},"label":"Tm","xyz":[4.260801302563332,2.6727074823763646,4.042869695749251]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10911499009681301,0.10911499009699101,0.6726560297092301],"properties":{"magmom":0.001},"label":"Fe","xyz":[0.8123719975499489,0.5095832879399504,5.684257528106881]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8908850099031861,0.8908850099030091,0.327343970290769],"properties":{"magmom":0.001},"label":"Fe","xyz":[6.48008746490755,4.064817154258044,5.817282882446339]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.167142061895098,0.832857938104915,0.499999999999985],"properties":{"magmom":-0.0},"label":"B","xyz":[2.6949907148275454,3.803654790248817,5.750770533012769]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8328579381048721,0.49999999999996403,0.500000000000014],"properties":{"magmom":-0.0},"label":"B","xyz":[5.330606970946646,2.2872002176597754,6.356876737663252]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5000000000000281,0.16714206189511302,0.5],"properties":{"magmom":-0.0},"label":"B","xyz":[2.913091507912036,0.7707456553883633,5.144663345153794]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.167142061895127,0.5000000000000351,0.499999999999985],"properties":{"magmom":-0.0},"label":"B","xyz":[1.9618524915108502,2.2872002245382146,5.144663672889964]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999999999971,0.8328579381048861,0.5],"properties":{"magmom":-0.0},"label":"B","xyz":[4.379367954545461,3.803654786809627,6.356877065399431]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.832857938104908,0.16714206189508402,0.500000000000014],"properties":{"magmom":-0.0},"label":"B","xyz":[4.597468747629986,0.7707456519491732,5.75076987754046]}]} | false | -19.330511 | -19.330511 | -0.543609 | 0 | true | -0.025814 | 0 | null | null | 6.098403 | false | true | false | NM | 0.00147 | 0.000008 | 0.00147 | 0 | 0 | [
"Ce2+",
"Fe2+",
"Tm3+",
"B3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250287 | SrDyCuS3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.797310785922002,0.031422074813281,0.0],[-5.677864341399581,3.737148473198823,0.0],[0.0,0.0,10.19213423069678]],"pbc":[true,true,true],"a":6.79738341328464,"b":6.797383481169001,"c":10.19213423069678,"alpha":90.0,"beta":90.0,"gamma":146.38238071060707,"volume":260.72467900871635},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251094948121561,0.748905051878459,0.25],"properties":{"magmom":-0.0},"label":"Sr","xyz":[-2.5454108899974934,2.806659295443581,2.548033557674195]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748905051878438,0.25109494812154004,0.75],"properties":{"magmom":-0.0},"label":"Sr","xyz":[3.6648573345199127,0.9619112525685194,7.644100673022585]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Dy","xyz":[0.0,0.0,5.09606711534839]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Dy","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.527304219478125,0.472695780521853,0.25],"properties":{"magmom":0.0},"label":"Cu","xyz":[0.9003481419657695,1.7831033070985693,2.548033557674195]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47269578052187405,0.527304219478146,0.75],"properties":{"magmom":0.0},"label":"Cu","xyz":[0.21909830255665014,1.985467240913531,7.644100673022585]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6358460247278821,0.36415397527201004,0.43026747498313905],"properties":{"magmom":0.0},"label":"S","xyz":[2.25442617109261,1.3808770740558012,4.385343860131122]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.364153975272117,0.635846024727989,0.56973252501686],"properties":{"magmom":0.0},"label":"S","xyz":[-1.1349797265701902,2.3876934739562996,5.806790370565649]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6358460247278821,0.36415397527201004,0.06973252501686],"properties":{"magmom":0.0},"label":"S","xyz":[2.25442617109261,1.3808770740558012,0.7107232552172584]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.364153975272117,0.635846024727989,0.9302674749831391],"properties":{"magmom":0.0},"label":"S","xyz":[-1.1349797265701902,2.3876934739562996,9.481410975479513]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9242758642152531,0.07572413578489501,0.25],"properties":{"magmom":0.0},"label":"S","xyz":[5.852638930641364,0.3120350037863024,2.548033557674195]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.075724135784746,0.9242758642151041,0.75],"properties":{"magmom":0.0},"label":"S","xyz":[-4.733192486118944,3.4565355442257983,7.644100673022585]}]} | false | -15.614533 | -15.614533 | -1.935137 | 0 | true | -0.055156 | 1.5399 | 5.4259 | 3.886 | 4.078797 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Cu+",
"Sr2+",
"S2-",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250288 | YbEr2(BPt2)3 | 21 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.323074164920102,-0.010705791856419001,0.0],[-2.670808792975794,4.62597709639978,0.0],[0.0,0.0,7.78046026287202]],"pbc":[true,true,true],"a":5.323084930678743,"b":5.341618079295089,"c":7.78046026287202,"alpha":90.0,"beta":90.0,"gamma":120.11523033131769,"volume":191.36684718599787},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.166666999999996],"properties":{"magmom":0.0},"label":"Yb","xyz":[-1.335404396487897,2.31298854819989,1.2967459706320599]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.8361557434904081],"properties":{"magmom":-0.0},"label":"Er","xyz":[1.3261326859721538,2.3076356522716805,6.50567653579933]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.49717725650958705],"properties":{"magmom":-0.0},"label":"Er","xyz":[2.661537082460051,-0.0053528959282095005,3.8682678878765713]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.33045367997303204],"properties":{"magmom":0.0},"label":"B","xyz":[1.3261326859721538,2.3076356522716805,2.571081725750003]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0028793200269700003],"properties":{"magmom":0.0},"label":"B","xyz":[2.661537082460051,-0.0053528959282095005,0.02240243505393168]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.666666999999996],"properties":{"magmom":0.0},"label":"B","xyz":[-1.335404396487897,2.31298854819989,5.18697610206807]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.154006021645336,0.8525218380480901,0.832345208515285],"properties":{"magmom":0.0},"label":"Pt","xyz":[-1.4571373462003108,3.9420977405787374,6.476028819845101]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15400602164461202,0.301484183596457,0.5009877914847111],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.014578866566014233,1.3930101718316341,3.897915603830808]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.703953474551084,0.8519762372757,0.166666999999996],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.4717309277662445,3.933686180939106,1.2967459706320599]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8459939783546631,0.14747816195190902,0.832345208515285],"properties":{"magmom":0.0},"label":"Pt","xyz":[4.109402718144616,0.6731735639646198,6.476028819845101]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.845993978355387,0.6985158164035421,0.5009877914847111],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.6376865053782907,3.222261132711723,3.897915603830808]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.296046525448915,0.1480237627243,0.166666999999996],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.1805344441780579,0.6815851236042553,1.2967459706320599]}]} | false | -37.396858 | -37.396858 | -1.118057 | 0 | true | -0.039177 | 0 | null | null | 7.621034 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250289 | Rb4LaUSe6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.686321768302267,0.008280100757545001,1.2246361465167641],[-4.128087691297258,6.483710561790763,1.224636142120826],[0.011627367854071001,0.021214952445892003,8.323723346939207]],"pbc":[true,true,true],"a":7.783273384463716,"b":7.783273367722966,"c":8.323758503601082,"alpha":80.86717909696426,"beta":80.86718397879598,"gamma":119.87636087155207,"volume":414.705486793921},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.50007731980888,0.499922680191119,0.0],"properties":{"magmom":-0.0},"label":"Rb","xyz":[1.7800305263839549,3.2454946522284844,1.2246361443191338]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.65503012862193,0.34496987137804,0.5000000000000421],"properties":{"magmom":-0.002},"label":"Rb","xyz":[3.616520140543525,2.2527159902405636,5.3864978184702155]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34600998909601804,0.6539900109040311,0.49999999999992806],"properties":{"magmom":-0.002},"label":"Rb","xyz":[-0.03437031907850262,4.253754414799899,5.3864978171109295]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999301992156269,0.0006980078437090001,0.5000000000000281],"properties":{"magmom":-0.002},"label":"Rb","xyz":[7.683888901757543,0.02340747823368479,5.386497819983506]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8322451981095961,0.167754801890403,0.0],"properties":{"magmom":-0.006},"label":"La","xyz":[5.704397849955038,1.0945646549032535,1.2246361457793233]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.167615685409607,0.8323843145903921,0.0],"properties":{"magmom":1.451},"label":"U","xyz":[-2.1478073520167356,5.398326846742426,1.224636142857653]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.819806408099076,0.7970478539740921,0.199724345080127],"properties":{"magmom":-0.047},"label":"Se","xyz":[3.0133346734299358,5.178852811208386,3.642508363576314]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20295214602595701,0.18019359190084502,0.800275654919893],"properties":{"magmom":-0.047},"label":"Se","xyz":[0.8254056485708652,1.1869813691553088,7.130487272100659]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40641604918982205,0.040502077263468,0.20297808862068903],"properties":{"magmom":-0.05},"label":"Se","xyz":[2.95900850015455,0.2702750824620341,2.236845547179329]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.544969681390647,0.9339215206443041,0.7961668709166141],"properties":{"magmom":-0.049},"label":"Se","xyz":[0.34275971620968265,6.076679873462377,8.438176390180322]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9594979227365671,0.5935839508100781,0.79702191137941],"properties":{"magmom":-0.05},"label":"Se","xyz":[4.933910436031565,3.873480052601954,8.536150090006748]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.066078479355638,0.45503031860950205,0.20383312908324303],"properties":{"magmom":-0.049},"label":"Se","xyz":[-1.3681345603587058,2.9551563293108125,2.33481924368559]}]} | false | -22.64672 | -22.64672 | -1.706751 | 0 | true | -0.032717 | 1.3007 | 2.6612 | 1.3605 | 1.442683 | false | false | true | FM | 0.999999 | 0.002411 | 0.999999 | 1 | 1 | [
"U5+",
"Rb+",
"Se2-",
"La3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250290 | CePa3Tc8 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.133670655863752,4.6988771e-9,0.0],[-2.56683581976596,4.445888316466317,0.0],[0.0,0.0,9.541820403299432]],"pbc":[true,true,true],"a":5.133670655863752,"b":5.1336701343313145,"c":9.541820403299432,"alpha":90.0,"beta":90.0,"gamma":120.00000964659019,"volume":217.77989825765164},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.059666162287534005],"properties":{"magmom":-0.0},"label":"Ce","xyz":[-2.894724855384001e-6,2.9639270278399232,0.5693238047017671]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.43653031354340704],"properties":{"magmom":-0.0},"label":"Pa","xyz":[-2.894724855384001e-6,2.9639270278399232,4.16529385242718]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.562186507652775],"properties":{"magmom":-0.0},"label":"Pa","xyz":[2.566837730822645,1.4819612933252668,5.364282689180901]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9379960913380281],"properties":{"magmom":-0.0},"label":"Pa","xyz":[2.566837730822645,1.4819612933252668,8.950190242544315]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.500126455131081],"properties":{"magmom":0.0},"label":"Tc","xyz":[0.0,0.0,4.772116813799567]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0006298757648360001],"properties":{"magmom":0.0},"label":"Tc","xyz":[0.0,0.0,0.006010161424455981]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8304645345231091,0.16953546547727402,0.251726029736339],"properties":{"magmom":-0.0},"label":"Tc","xyz":[3.8281617061090727,0.753735749094342,2.4019245665797593]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.830464534522356,0.660930069045079,0.251726029736339],"properties":{"magmom":-0.0},"label":"Tc","xyz":[2.5668324360276715,2.9384212758710437,2.4019245665797593]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.339069930954536,0.169535465477643,0.251726029736339],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.3055036493183407,0.7537357467869796,2.4019245665797593]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.169567178406609,0.8304328215930211,0.749229501691097],"properties":{"magmom":0.0},"label":"Tc","xyz":[-1.2610826643906594,3.6920115799273456,7.149013345989976]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16956717840732602,0.33913535681432405,0.749229501691097],"properties":{"magmom":0.0},"label":"Tc","xyz":[-2.7336328136542655e-6,1.5077579213582142,7.149013345989976]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6608646431860451,0.8304328215926731,0.749229501691097],"properties":{"magmom":0.0},"label":"Tc","xyz":[1.2610767138486803,3.6920115822343447,7.149013345989976]}]} | false | -39.283974 | -39.283974 | -0.190143 | 0 | true | -0.106052 | 0 | null | null | 12.343216 | false | true | false | NM | 0.000174 | 0.000001 | 0.000174 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250291 | Ce3YTc8 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.16948161014276,1.088496109999999e-8,0.0],[-2.58474128601455,4.476902863511283,0.0],[0.0,0.0,9.533384299456024]],"pbc":[true,true,true],"a":5.16948161014276,"b":5.169482253083347,"c":9.533384299456024,"alpha":90.0,"beta":90.0,"gamma":120.00000192030419,"volume":220.63365874642895},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.44327007196308404],"properties":{"magmom":-0.0},"label":"Ce","xyz":[-2.9053697195711875e-6,2.984603404936775,4.225863944471607]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.557762598590386],"properties":{"magmom":-0.0},"label":"Ce","xyz":[2.584743229497927,1.4922994694594645,5.317365200225379]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9354905904779611],"properties":{"magmom":0.001},"label":"Ce","xyz":[2.584743229497927,1.4922994694594645,8.91839130755144]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.06525657316024701],"properties":{"magmom":0.0},"label":"Y","xyz":[-2.9053697195711875e-6,2.984603404936775,0.6221159900022022]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.498858909625539],"properties":{"magmom":0.0},"label":"Tc","xyz":[0.0,0.0,4.7558136966678655]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9996360098208891],"properties":{"magmom":-0.001},"label":"Tc","xyz":[0.0,0.0,9.529914241197332]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8305456502510391,0.16945434974871101,0.24768765886808802],"properties":{"magmom":-0.0},"label":"Tc","xyz":[3.855494811466564,0.7586306726649039,2.36130163822205]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.830545650251103,0.6610913005023911,0.24768765886808802],"properties":{"magmom":-0.0},"label":"Tc","xyz":[2.5847404871235553,2.9596415453020097,2.36130163822205]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.338908699497857,0.169454349748896,0.24768765886808802],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.3139866356808498,0.758630667314283,2.36130163822205]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.169339943775717,0.8306600562244241,0.7522210899192031],"properties":{"magmom":-0.0},"label":"Tc","xyz":[-1.2716416167552584,3.718784386158826,7.171212728355429]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.169339943775682,0.33868088755124803,0.7522210899192031],"properties":{"magmom":-0.0},"label":"Tc","xyz":[-2.7476267649683597e-6,1.5162414371379838,7.171212728355429]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6613191124486021,0.830660056224317,0.7522210899192031],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.2716356482728206,3.718784391513521,7.171212728355429]}]} | false | -26.821221 | -26.821221 | -0.108489 | 0 | true | -0.064619 | 0 | null | null | 10.249409 | false | true | false | NM | 0.000363 | 0.000002 | 0.000363 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250292 | Yb7TmBi6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.694633891513467,3.9805219e-9,-2.720463637454979],[-3.861838612580108,6.739187511065017,-2.761536579768217],[0.029037834457185004,7.836345009e-6,8.243523032902482]],"pbc":[true,true,true],"a":8.161391617067672,"b":8.24357507761695,"c":8.24357417567678,"alpha":109.67229034493866,"beta":109.26939516597206,"gamma":109.26939770708185,"volume":428.0052935959305},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.64894861395949,0.499999999999971,0.0],"properties":{"magmom":0.001},"label":"Yb","xyz":[3.062502692533439,3.3695937581154674,-3.1462093967376297]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499382889464335,0.0012778478566560002,0.6509802194171991],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.8565367197666975,0.008616759610015233,4.004288617175136]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35603134732907105,0.352256621675309,0.357373818997381],"properties":{"magmom":-0.001},"label":"Yb","xyz":[1.3895500102721194,2.3739262274059305,1.004679427836452]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.503773725653694,0.005117197322022001,0.147743378324619],"properties":{"magmom":-0.001},"label":"Yb","xyz":[3.860882740624481,0.03448691205759371,-0.1667034875589286]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9981050416076441,0.6497023715605931,0.49872215214328003],"properties":{"magmom":0.0},"label":"Yb","xyz":[5.185488986561139,4.3784700204622995,-0.3982577888689994]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8484026700471211,0.849019780582771,0.8502976284395131],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.274061368870223,5.721710168553234,2.356800290054468]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.998657528331726,0.14262618100269,0.49488280267799906],"properties":{"magmom":-0.001},"label":"Yb","xyz":[7.147875095455214,0.961188459811786,0.9688988742947218]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.148175369178865,0.49999999999999206,0.0],"properties":{"magmom":-0.0},"label":"Tm","xyz":[-0.7907640887188088,3.3695937561222706,-1.7838739937016561]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37035960151664604,0.624230696021363,0.7548515670179651],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.4610225916671656,4.206813627402127,3.4912505491496066]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.882459940212527,0.255551816141633,0.125301731578559],"properties":{"magmom":-0.0},"label":"Bi","xyz":[5.806944783710304,1.7222125931919268,-2.073488156829781]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6155080344986951,0.7451484329821121,0.369379129003405],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.8691919621585582,5.021697910475055,-0.6872365236391265]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.126908124070894,0.869749915436926,0.24444818385833803],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-2.3752240082420695,5.861409683947853,-0.7319809095744866]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24612890549531802,0.13062087099653,0.8757693039786291],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.41486553875376,0.8802854063143855,6.189125377992096]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7571582086339671,0.37469826842144005,0.630250084563101],"properties":{"magmom":-0.0},"label":"Bi","xyz":[4.397332069957895,2.525166832834446,2.1009167395737856]}]} | false | -46.532281 | -46.532281 | -0.686542 | 0 | true | -0.29657 | 0 | null | null | 4.681914 | false | true | false | NM | 0.002238 | 0.000005 | 0.002238 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250293 | Yb2Ru(CN)2 | 72 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.088279940050385,-0.18369543912090702,-2.3104752733791942],[-1.449809865112853,4.398701112076059,-4.581339698439675],[0.15162142234890702,0.18369250237557502,6.510180317607337]],"pbc":[true,true,true],"a":6.51453702358582,"b":6.514537094134704,"c":6.514536035582739,"alpha":133.54459788871128,"beta":109.47959076323592,"gamma":88.71705526646289,"volume":180.01973034834705},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.201675862619971,0.34634302019503505,0.85533384243164],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.855414515162426,1.643530905830402,3.515695424464048]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.798324137380028,0.6536569798049641,0.14466615756835902],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.934676982124008,2.7551672695003204,-3.89733007867558]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49100817776339706,0.846341020188752,0.6446661575697941],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.8601068785091919,3.751025563554488,-0.8149450375195453]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.508991822236602,0.153658979811254,0.35533384243020505],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.9299846187772327,0.6476726117762651,0.43331038330798194]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.25,0.25],"properties":{"magmom":0.0},"label":"Ru","xyz":[-0.3245471106909865,1.1455984036129083,0.48221015479191554]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.75,0.75],"properties":{"magmom":0.0},"label":"Ru","xyz":[-0.9736413320729597,3.4367952108387256,1.4466304643757464]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8944169202977711,0.074514833311297,0.8199030869896681],"properties":{"magmom":-0.0},"label":"C","xyz":[5.461743125696239,0.31407822097588683,2.929810996854003]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10558307970222801,0.9254851666887021,0.180096913010331],"properties":{"magmom":-0.0},"label":"C","xyz":[-0.6716516284098039,4.084619954354835,-3.3114456510655352]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.2546107463208,0.574513833306184,0.680096913008704],"properties":{"magmom":-0.0},"label":"C","xyz":[0.8203229374605578,2.6052725084251622,1.2072386715955683]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7453892536791991,0.42548616669381506,0.31990308699129605],"properties":{"magmom":-0.0},"label":"C","xyz":[3.9697685598258765,1.7934256669055604,-1.5888733258070937]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.786282954074337,0.12662417716637,0.659659776905243],"properties":{"magmom":0.0},"label":"N","xyz":[4.703548308917479,0.533719871531696,1.8977084030229063]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.213717045925662,0.873375822833629,0.34034022309475603],"properties":{"magmom":0.0},"label":"N","xyz":[0.08654318836895546,3.8649783037990266,-2.279343057234438]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.466965400261436,0.626624177170349,0.8403402230955661],"properties":{"magmom":0.0},"label":"N","xyz":[2.061943745212251,2.824917249144938,1.5210761507902306]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.533034599738563,0.37337582282965004,0.159659776904433],"properties":{"magmom":0.0},"label":"N","xyz":[2.7281477520741837,1.5737809261857842,-1.9027108050017618]}]} | false | -20.204765 | -20.204765 | -0.685442 | 0.076797 | false | null | 0 | null | null | 6.738716 | false | true | false | NM | 0.000005 | 0 | 0.000002 | 0 | 0 | [
"Ru4+",
"N3-",
"Yb3+",
"C2-"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250294 | Th6IrPdAu6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.520707573452817,0.024341595466508003,-3.386051175137393],[-5.245046458661572,5.389911984864043,-3.386048960117003],[0.010231612044539,0.024341036926531,8.247805281532962]],"pbc":[true,true,true],"a":8.247846838982264,"b":8.247847665810081,"c":8.247847545514327,"alpha":114.16686495428198,"beta":114.16687452302797,"gamma":114.16685310295456,"volume":336.6237003434266},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.028805519826342003,0.389196982063282,0.275719936891135],"properties":{"magmom":0.0},"label":"Th","xyz":[-1.8218973019503584,2.105149959571863,0.8587073510601574]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38919698206164105,0.275719936888357,0.028805519824089004],"properties":{"magmom":0.0},"label":"Th","xyz":[1.481167538900876,1.4962810240163693,-2.0138597855116696]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7242800631111661,0.9711944801755621,0.6108030179382881],"properties":{"magmom":0.0},"label":"Th","xyz":[0.3593878865397103,5.267150479447248,-0.7031770611683003]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.275719936888833,0.028805519824437003,0.38919698206171205],"properties":{"magmom":0.0},"label":"Th","xyz":[1.9265048402960707,0.17144413780982942,2.1788822074468728]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.610803017938359,0.7242800631116421,0.97119448017591],"properties":{"magmom":0.0},"label":"Th","xyz":[0.8047251879349123,3.9423135932407076,3.489564931790231]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9711944801736571,0.6108030179367171,0.7242800631088641],"properties":{"magmom":0.0},"label":"Th","xyz":[4.107790028786139,3.3334446576852144,0.6169977952184064]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Pd","xyz":[1.1429463634178918,2.719297308628541,0.7378525731392829]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42533588289900504,0.928003721845385,0.7649775550644541],"properties":{"magmom":-0.0},"label":"Au","xyz":[-1.6607688855439087,5.030832083287588,1.726910815457225]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9280037218471261,0.7649775550682131,0.425335882901812],"properties":{"magmom":-0.0},"label":"Au","xyz":[2.9712536746644362,4.1561038998346636,-2.2244320063208556]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23502244493468502,0.574664117100269,0.071996278155126],"properties":{"magmom":-0.0},"label":"Au","xyz":[-1.2458682727782278,3.10486229737535,-2.14782757876011]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7649775550653141,0.42533588289973,0.9280037218448741],"properties":{"magmom":-0.0},"label":"Au","xyz":[3.5317609996140096,2.333732319881727,3.6235327250386837]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.071996278152873,0.235022444931786,0.5746641170981871],"properties":{"magmom":-0.0},"label":"Au","xyz":[-0.6853609478286548,1.2824907174224138,3.7001371525994204]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5746641171009941,0.071996278154614,0.23502244493554503],"properties":{"magmom":-0.0},"label":"Au","xyz":[3.9466616123796903,0.4077625339694894,-0.2512056691786609]}]} | false | -59.383254 | -59.383254 | -0.834601 | 0 | true | -0.009 | 0 | null | null | 8.545286 | false | true | false | NM | 0.00002 | 0 | 0.00002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250295 | Er4MnCoC8 | 23 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.086275679944028,-0.00997193436374,-2.300333413029795],[-1.342986962870705,4.397991818571793,-4.603091197351775],[0.035246637849584005,0.009971950452628001,6.506384718981249]],"pbc":[true,true,true],"a":6.506487908453716,"b":6.506488652860504,"c":6.50648782959503,"alpha":135.03451568510604,"beta":110.39400735823189,"gamma":86.78938652257727,"volume":174.74018706388023},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.511513449727949,0.357047966775887,0.15746916417204201],"properties":{"magmom":0.0},"label":"Er","xyz":[2.6392513631460277,1.5667635328741274,-1.795620869042048]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48848655027181503,0.6459567144447641,0.8455345170483921],"properties":{"magmom":0.0},"label":"Er","xyz":[2.1353546137327184,2.8444728177727012,1.4042932615579669]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19957880260415803,0.854043285556066,0.342530835828156],"properties":{"magmom":0.0},"label":"Er","xyz":[0.07979567461572785,3.757500896385165,-2.1616995220511495]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8004211973960691,0.14295203322327402,0.654465482951415],"properties":{"magmom":0.0},"label":"Er","xyz":[4.702669058351297,0.6272464222893291,1.7589473467346843]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.75,0.75],"properties":{"magmom":-0.0},"label":"Mn","xyz":[-0.9808052437658408,3.3059728267683157,1.4274701412221058]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.25,0.25],"properties":{"magmom":0.0},"label":"Co","xyz":[-0.32693508125528026,1.1019909422561052,0.4758233804073686]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24647931493743103,0.064145231946916,0.152071058621039],"properties":{"magmom":0.0},"label":"C","xyz":[1.4193548434085441,0.28116877481419855,0.12718185571302662]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7535206850620491,0.9055897436885441,0.817663917013923],"properties":{"magmom":0.0},"label":"C","xyz":[3.3987593043104365,3.983415928978949,-0.5818249719203789]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.912074173325343,0.5944102563168481,0.34792894137761005],"properties":{"magmom":0.0},"label":"C","xyz":[4.765112959979055,2.60858583052985,-2.570439767058906]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08792582667517401,0.435854768047697,0.6823360829874191],"properties":{"magmom":0.0},"label":"C","xyz":[-0.02615639785224549,1.9228131349983864,2.2310031004655424]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46901652562691204,0.134809814119101,0.345121988069777],"properties":{"magmom":0.0},"label":"C","xyz":[2.685680440313368,0.5916569969150737,0.5460601755106325]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.530983474372774,0.8761064624456121,0.6657942884946301],"properties":{"magmom":0.0},"label":"C","xyz":[2.0785792595448593,3.8544533893355126,-0.9223231884462876]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.789688826049399,0.6238935375575351,0.154878011929859],"properties":{"magmom":0.0},"label":"C","xyz":[3.9738419387463084,2.7375483845578756,-3.6806905131468244]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.210311173950906,0.36519018587775004,0.8342057115057311],"properties":{"magmom":0.0},"label":"C","xyz":[0.8189690712412265,1.6123248985128917,3.262873743281849]}]} | false | -17.791218 | -17.791218 | -0.419991 | 0 | true | -0.0061 | 0 | null | null | 5.556457 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"C2-",
"C3-",
"Er3+",
"Co3+",
"Mn5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250296 | BaSmF5 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.521211620563797,-0.012520166282734,0.10661377105220901],[-7.343621767357467,4.322317048783025,0.10661375547313301],[0.000489747877281,0.001793511218625,5.962717060928893]],"pbc":[true,true,true],"a":8.521887744694435,"b":8.521887808758274,"c":5.962717350774558,"alpha":89.27849183662448,"beta":89.27849715126888,"gamma":149.57092671724337,"volume":219.06359537574122},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32554590774915204,0.6744540922507261,0.7500000000000281],"properties":{"magmom":-0.0},"label":"Ba","xyz":[-2.178522869888728,2.912473666073078,4.578651556241661]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6744540922508471,0.325545907749273,0.24999999999997102],"properties":{"magmom":-0.0},"label":"Ba","xyz":[3.3566024709723385,1.3991167276458336,1.5972930312125677]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.074554584041223,0.925445415958805,0.7499999999998791],"properties":{"magmom":0.0},"label":"Sm","xyz":[-6.160458402329936,4.000480196741473,4.578651552330576]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.925445415958776,0.074554584041195,0.25000000000012],"properties":{"magmom":0.0},"label":"Sm","xyz":[7.338538003413539,0.3111101969774426,1.5972930351236532]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.734419010890697,0.807388026064202,0.596424131288237],"properties":{"magmom":-0.0},"label":"F","xyz":[0.3292796245081835,3.4816616752735454,3.7206861930482997]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8073880260639541,0.734419010890469,0.09642413128804601],"properties":{"magmom":-0.0},"label":"F","xyz":[1.4866760187774595,3.1644561171424423,0.7393276637194535]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.802719970238825,0.174656040803043,0.008020125204964],"properties":{"magmom":-0.0},"label":"F","xyz":[5.557542763255295,0.7448829795146049,0.15202347694258397]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.620342602419654,0.379657397580182,0.7499999999996161],"properties":{"magmom":0.0},"label":"F","xyz":[2.49837757436899,1.634577983136826,4.578651560831861]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.825343959197226,0.197280029761451,0.49197987479553906],"properties":{"magmom":-0.0},"label":"F","xyz":[5.58442156135176,0.8432557638375264,3.042562589834918]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17465604080277303,0.802719970238548,0.50802012520446],"properties":{"magmom":-0.0},"label":"F","xyz":[-4.406341960268151,3.468334629881385,3.1333819976193116]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.379657397580345,0.6203426024198181,0.250000000000383],"properties":{"magmom":0.0},"label":"F","xyz":[-1.3202979732853892,2.6770124105820905,1.5972930266223688]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.197280029761174,0.825343959196956,0.9919798747950351],"properties":{"magmom":-0.0},"label":"F","xyz":[-4.379463162171685,3.566707414204307,6.023921110511646]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.192611973936045,0.26558098910953004,0.9035758687119541],"properties":{"magmom":-0.0},"label":"F","xyz":[-0.3085964176938494,1.1471342765764694,5.436616923734781]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.265580989109302,0.192611973935804,0.40357586871176204],"properties":{"magmom":-0.0},"label":"F","xyz":[0.8487999765753755,0.8299287184453966,2.45525839440593]}]} | false | -14.592 | -14.592 | -4.325907 | 0 | true | -0.012795 | 7.9684 | 5.9762 | -1.9922 | 1.992 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"F-",
"Sm3+",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250297 | Ca4YbIr2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.411426109599766,0.037063562056097,1.074078900910883],[5.973292826312719,5.92226637940032,1.074077916483708],[0.019299723736283,0.007995741007223,7.585716725613079]],"pbc":[true,true,true],"a":8.479805917016666,"b":8.479805990005453,"c":7.5857454908833155,"alpha":82.57716175922421,"beta":82.57715611789475,"gamma":44.12441697100705,"volume":376.0578999644118},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.033771258610634,0.7929553263431891,0.920409588025421],"properties":{"magmom":0.0},"label":"Ca","xyz":[5.038382459636883,4.704703709394321,7.8699352074133175]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.207044673656739,0.966228741389457,0.5795904119749481],"properties":{"magmom":0.0},"label":"Ca","xyz":[7.524294118199983,5.734572057875949,5.656795951042285]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9662287413893651,0.20704467365681,0.079590411974578],"properties":{"magmom":0.0},"label":"Ca","xyz":[9.365636200011874,1.262621973069313,1.8639383355943426]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.79295532634326,0.033771258610542004,0.420409588025052],"properties":{"magmom":0.0},"label":"Ca","xyz":[6.879724541448771,0.23275362458768417,4.077077591965383]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36510542853014205,0.19990235643169202,0.823469669258685],"properties":{"magmom":0.0},"label":"Ca","xyz":[4.281025383053384,1.2039913625683498,6.853470387019264]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.800097643568328,0.6348945714698141,0.676530330740966],"properties":{"magmom":0.0},"label":"Ca","xyz":[10.535430247047927,3.7950786050509207,6.673261681422666]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6348945714698571,0.800097643568307,0.17653033074131402],"properties":{"magmom":0.0},"label":"Ca","xyz":[10.122993276595372,4.763334319895284,2.8804031559883962]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.199902356431671,0.365105428530185,0.32346966925903303],"properties":{"magmom":0.0},"label":"Ca","xyz":[3.868588412600828,2.1722470774127136,3.0606118615849947]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5744017246864881,0.42559827531349703,0.7500000000003191],"properties":{"magmom":-0.0},"label":"Yb","xyz":[7.388235582050458,2.547792536743351,6.763366026152589]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.425598275313511,0.5744017246865021,0.24999999999968],"properties":{"magmom":-0.0},"label":"Yb","xyz":[7.0157830775982974,3.419533145720283,2.9705075168550725]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.187512952771989,0.5979238338725771,0.5800981333369181],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.1600212281002555,3.5526524311800274,5.244080604472486]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40207616612742203,0.8124870472280531,0.9199018666632811],"properties":{"magmom":-0.0},"label":"Ir","xyz":[8.253010864382397,4.83402239550938,8.282650897323654]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.81248704722801,0.40207616612742203,0.41990186666308205],"properties":{"magmom":-0.0},"label":"Ir","xyz":[9.2439974315485,2.414673251283607,4.4897929385351825]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5979238338725771,0.18751295277194602,0.080098133336719],"properties":{"magmom":-0.0},"label":"Ir","xyz":[6.151007795266359,1.1333032869542539,1.4512226456840147]}]} | false | -24.692722 | -24.692722 | -0.492542 | 0.016164 | false | null | 0 | null | null | 3.610785 | false | true | false | NM | 0.000015 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250298 | Pr(AuO2)2 | 88 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.424149557757289,-0.075382174699765,-3.985521040289342],[-1.4329078434123441,5.232006248660776,-3.98551847188744],[0.05834677994765,0.075379695749827,6.730704581939504]],"pbc":[true,true,true],"a":6.731378674519069,"b":6.731379632994563,"c":6.731379547656114,"alpha":125.81445855758089,"beta":125.81446349730417,"gamma":80.19330226421565,"volume":193.57912353398925},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.026000000000000002},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.026000000000000002},"label":"Pr","xyz":[3.7390585974387056,1.2891547790152835,-0.6201681072191145]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.625,0.75],"properties":{"magmom":0.247},"label":"Au","xyz":[1.1822487669870059,3.298270361712943,1.0625090014164749]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.125,0.75],"properties":{"magmom":0.247},"label":"Au","xyz":[1.898702688693178,0.6822672373825552,3.0552682373601945]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.625,0.25],"properties":{"magmom":0.247},"label":"Au","xyz":[1.1530753770131807,3.26058051383803,-2.302843289553277]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875,0.625,0.25],"properties":{"magmom":0.247},"label":"Au","xyz":[3.8651501558918255,3.2228894264881474,-4.295603809697948]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9994464717557531,0.9566705851643531,0.35005036066802103],"properties":{"magmom":0.10200000000000001},"label":"O","xyz":[4.070750664096666,4.956352720637173,-5.440057664051572]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.706670585160807,0.8566202244977741,0.45722511341030203],"properties":{"magmom":0.10200000000000001},"label":"O","xyz":[2.6323067165502634,4.463037491733822,-3.153079048031693]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39939511108610704,0.249446471751106,0.542774886588254],"properties":{"magmom":0.10200000000000001},"label":"O","xyz":[1.8406141761533108,1.3159124326817146,1.0672862765876958]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.606620224491159,0.6493951110845231,0.6499496393305431],"properties":{"magmom":0.10200000000000001},"label":"O","xyz":[2.397797942836778,3.4009039333704263,-0.6312548634833071]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750553528244246,0.293329414835646,0.14994963933197802],"properties":{"magmom":0.10200000000000001},"label":"O","xyz":[3.659549647686982,1.489426132339117,-3.1511499553443234]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.043329414839192004,0.393379775502225,0.042774886589697005],"properties":{"magmom":0.10200000000000001},"label":"O","xyz":[-0.32615596252390516,2.058123535942233,-1.4526075310748607]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14337977550884,0.600604888915476,0.850050360669456],"properties":{"magmom":0.10200000000000001},"label":"O","xyz":[-0.03330040886277,3.1956367900554556,2.7562728663162575]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.350604888913892,0.000553528248893,0.9572251134117451],"properties":{"magmom":0.10200000000000001},"label":"O","xyz":[1.956791201233041,0.048622042083390715,5.043250198132696]}]} | false | -23.513799 | -23.513799 | -1.447512 | 0 | true | -0.01841 | 0 | null | null | 5.876717 | false | true | true | FM | 1.999213 | 0.010328 | 0.999607 | 4 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250299 | La4Nd6IrOs3 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.980484055191415,-0.021665307677853,0.911760241615696],[6.41560300723838,6.241109755510652,0.9042847433005621],[-0.054635403740794,-0.027056085206752,7.318847961726125]],"pbc":[true,true,true],"a":9.026675467152629,"b":8.996062684518296,"c":7.31910189476491,"alpha":84.68516260627408,"beta":84.63005257478123,"gamma":44.11076501941387,"volume":411.59887055750755},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.022918855118149003,0.790804158663434,0.9049731843606281],"properties":{"magmom":-0.0},"label":"La","xyz":[5.229864376107388,4.910513973699105,7.359369782272643]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20784735451712702,0.979917298471313,0.594638574853661],"properties":{"magmom":-0.0},"label":"La","xyz":[8.120841901455261,6.095179742248852,5.427700538409075]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.982145531346972,0.207104347904319,0.095093370554664],"properties":{"magmom":-0.0},"label":"La","xyz":[10.143646096672747,1.2687096266569327,1.7787364703014488]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7973408380726421,0.017885874613249,0.407740743249334],"properties":{"magmom":-0.0},"label":"La","xyz":[7.2529782736911725,0.08332120366200932,3.7273501063476053]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35578432819562505,0.211467887672583,0.8197432798473511],"properties":{"magmom":-0.0},"label":"Nd","xyz":[4.507022497476109,1.2899070757660598,6.515193622408509]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7873920438237431,0.643808638067348,0.679586233296809],"properties":{"magmom":-0.0},"label":"Nd","xyz":[11.16445286098177,3.982634337798203,6.273887407513914]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.643842378295936,0.784811755786719,0.17999069575166202],"properties":{"magmom":-0.0},"label":"Nd","xyz":[10.807223008552501,4.879277418457434,2.614047716250102]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20994036284709902,0.35849776950424606,0.322220323717381],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.167740811729376,2.224157483492832,2.8738808988900155]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.567933914006566,0.434230146798107,0.7477885976437261],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.845313962824889,2.677541310316362,6.3834383131538885]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43232573441950706,0.567668834132092,0.249402359240939],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.51080604538562,3.526769177065517,2.7328496306041146]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.604081152983724,0.172000342790973,0.075980955865297],"properties":{"magmom":-0.0},"label":"Ir","xyz":[6.524275828667466,1.0583296660861514,1.2624075277930038]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16774882236897,0.612300864258124,0.57805950293774],"properties":{"magmom":0.0},"label":"Os","xyz":[5.4031623763015455,3.8021625402137036,4.937370651504546]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.389384984195672,0.8318737089014401,0.923587462511221],"properties":{"magmom":0.0},"label":"Os","xyz":[8.783376536466582,5.15839031340828,7.86687266806025]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831312699808265,0.38762837243604004,0.42119271616957105],"properties":{"magmom":0.0},"label":"Os","xyz":[9.929448163297222,2.3898247452882857,4.191129743531275]}]} | false | -36.512164 | -36.512164 | -0.312006 | 0 | true | -0.012542 | 0 | null | null | 5.72625 | false | true | false | NM | 0.000512 | 0.000001 | 0.000512 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250300 | Yb3Cd(PbO4)2 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.35158866637945,0.0,0.0],[0.0,5.705806130771499,-0.010242267867689002],[0.0,-0.018305273809628,9.622215989780074]],"pbc":[true,true,true],"a":3.35158866637945,"b":5.705815323509928,"c":9.622233401712338,"alpha":90.2118484682721,"beta":90.0,"gamma":90.0,"volume":184.00996497666466},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.574497769249951,0.316631173414165],"properties":{"magmom":-0.0},"label":"Yb","xyz":[1.675794333189725,3.2721768735749106,3.040809379646558]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.928133366305473,0.817999971968106],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.675794333189725,5.2807753381762135,7.8614662193565215]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.073430349201331,0.18350067451214602],"properties":{"magmom":-0.0},"label":"Yb","xyz":[1.675794333189725,0.4156203065664502,1.7649310311200623]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.43022165099047505,0.678581389209121],"properties":{"magmom":0.0},"label":"Cd","xyz":[1.675794333189725,2.442339715680498,6.525050248223256]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.49709190414316806,0.0013944323981290002],"properties":{"magmom":-0.0},"label":"Pb","xyz":[0.0,2.83628450875011,0.008326181280850328]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.001528619736035,0.49802144509495605],"properties":{"magmom":-0.0},"label":"Pb","xyz":[0.0,-0.00039441105404297366,4.792054255713261]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.6449789571595871,0.798335268149145],"properties":{"magmom":-0.0},"label":"O","xyz":[0.0,3.6655111423044273,7.675148335141815]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7437755162602141,0.04828770150269401],"properties":{"magmom":-0.0},"label":"O","xyz":[1.675794333189725,4.242954980997623,0.45701674543798376]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.75797311890993,0.5455492561105181],"properties":{"magmom":-0.0},"label":"O","xyz":[1.675794333189725,4.314861240326532,5.241629411638868]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.8584101478929611,0.294757535358847],"properties":{"magmom":-0.0},"label":"O","xyz":[0.0,4.892526267171932,2.827428603163001]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.14069099805492802,0.703709043524632],"properties":{"magmom":-0.0},"label":"O","xyz":[0.0,0.7898739725221395,6.769799415866905]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.24238824144772003,0.44714763687336706],"properties":{"magmom":-0.0},"label":"O","xyz":[1.675794333189725,1.3748351541530281,4.300068536018401]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.24709032137227602,0.959900949595429],"properties":{"magmom":-0.0},"label":"O","xyz":[1.675794333189725,1.3922782208277662,9.233843500543205]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.35978803927594005,0.206183522288739],"properties":{"magmom":-0.0},"label":"O","xyz":[0.0,2.049106554448387,1.980257339522026]}]} | false | -22.884615 | -22.884615 | -2.16721 | 0.565539 | false | null | 0 | null | null | 6.95401 | false | true | false | NM | 0.00026 | 0.000001 | 0.00026 | 0 | 0 | [
"Cd2+",
"O2-",
"Yb2+",
"Pb4+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250301 | Pr2CuPPt7 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.167177294771324,-0.009002975433257001,0.0],[-7.569245291378014,5.172528438123406,0.0],[0.0,0.0,4.196280023163918]],"pbc":[true,true,true],"a":9.167181715627631,"b":9.167798248447857,"c":4.196280023163918,"alpha":90.0,"beta":90.0,"gamma":145.70908423727403,"volume":198.6910875592554},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.620955648990531,0.37339466277771205,0.5],"properties":{"magmom":0.0},"label":"Pr","xyz":[2.8660947334301095,1.9258040634082108,2.098140011581959]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37125290919109905,0.6176987714989081,0.5],"properties":{"magmom":0.0},"label":"Pr","xyz":[-1.27217227790365,3.191722080951021,2.098140011581959]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19469429311414602,0.791491383943494,0.5],"properties":{"magmom":0.0},"label":"Cu","xyz":[-4.206195327823007,4.092258864039472,2.098140011581959]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22343586796664902,0.22053522482571,0.0],"properties":{"magmom":-0.0},"label":"P","xyz":[0.3789910035663912,1.1387131343887118,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.111779660976751,0.8857229420449071,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-5.679550238415587,4.5804207564839,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8929395481183771,0.11357272944540801,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[7.3260753035305495,0.5794190600365751,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48368392737609106,0.9849071425465751,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-3.020987434277313,5.090105609217394,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.986122727600182,0.49597692141578803,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.28579090125574,2.5565766919853004,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.789495354604774,0.19395251986528403,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.769369691319119,0.9961171173666992,2.098140011581959]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.004763480501793,0.002882740640181,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.021847499283168627,0.014868172443135855,2.098140011581959]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6344735815596251,0.633461960996022,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.021502845469414,3.270887857653512,0.0]}]} | false | -40.862979 | -40.862979 | -0.947452 | 0 | true | -0.018953 | 0 | null | null | 8.374042 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250302 | HoPaBRh6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.003558816883888,-1.6990666000000002e-9,2.888806087227731],[1.667852937359401,4.717400237424048,2.888806087227732],[-4.8056855e-9,-3.3981327e-9,5.777611191149329]],"pbc":[true,true,true],"a":5.777612088364923,"b":5.777611879514827,"c":5.777611191149329,"alpha":59.999998358973826,"beta":59.9999995547457,"gamma":59.99999850739194,"volume":136.37351877645784},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ho","xyz":[5.003558812078202,3.5380501742451367,8.666417524203593]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Pa","xyz":[1.6678529373594009,1.1793500580817122,2.888805841401198]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"B","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.743811113135024,0.25618988686537103,0.25618988686403504],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.148989707321982,1.2085502309899896,4.368974533439888]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256189886865662,0.7438111131353221,0.256189886863744],"properties":{"magmom":-0.0},"label":"Rh","xyz":[2.5224287158753134,3.508854720397363,4.36897453343991]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.743809113134382,0.7438091131349721,0.256191886864627],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.962256859047798,3.508845284766733,5.7776177001485625]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256189886865612,0.25618988686502303,0.7438111131353721],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.7091482189779976,1.2085502301598472,5.777617220677591]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7438091131343321,0.25619188686467703,0.7438091131362511],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.148983033562259,1.208559664130199,7.186248832165817]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256191886864975,0.7438091131346241,0.7438091131359591],"properties":{"magmom":-0.0},"label":"Rh","xyz":[2.522435384939126,3.508845283936597,7.186248832165835]}]} | false | -30.02266 | -30.02266 | -0.92254 | 0 | true | -0.023523 | 0 | null | null | 10.277439 | false | true | false | NM | 0.000643 | 0.000005 | 0.000643 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250303 | Th(TaC)4 | 87 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.306290166312451,-0.066205776708548,-0.46168592747522],[-5.450523463661076,3.172612478761493,-0.46168867510815104],[0.018237333843503,0.066206545747864,6.323140781104739]],"pbc":[true,true,true],"a":6.323514273110116,"b":6.323514244550746,"c":6.3235136787007455,"alpha":94.02777635324989,"beta":94.02777728338435,"gamma":149.2627039407906,"volume":124.61459467820767},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626772392153618,0.828050167565145,0.45482255971821606],"properties":{"magmom":0.0},"label":"Ta","xyz":[-0.5524035433866787,2.6156985722228643,2.2042336975471577]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37322760784638104,0.171949832434855,0.545177440281783],"properties":{"magmom":0.0},"label":"Ta","xyz":[1.4264075798815503,0.5569146755779449,3.195532480974205]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.828050167564903,0.373227607846764,0.20127677541139302],"properties":{"magmom":0.0},"label":"Ta","xyz":[3.1913095468211643,1.1426107016149236,0.718087317504268]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.171949832435096,0.6267723921532351,0.798723224588606],"properties":{"magmom":0.0},"label":"Ta","xyz":[-2.317305510326288,2.030002546185883,4.681678861017094]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27348012576725,0.398614840284082,0.6720949660494],"properties":{"magmom":-0.0},"label":"C","xyz":[-0.4357572918536198,1.2910415384806846,3.939453205602068]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7265198742327491,0.601385159715917,0.3279050339506],"properties":{"magmom":-0.0},"label":"C","xyz":[1.3097613283484968,1.8815717093201214,1.4603129729193003]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39861484028313704,0.726519874233282,0.125135714516858],"properties":{"magmom":-0.0},"label":"C","xyz":[-1.4438506320994533,2.2868602173600943,0.2717898792182139]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.601385159716862,0.27348012576671704,0.8748642854831411],"properties":{"magmom":-0.0},"label":"C","xyz":[2.31785466859433,0.8857530304407119,5.127976299303149]}]} | false | -34.859113 | -34.859113 | -0.677831 | 0 | true | -0.062666 | 0 | null | null | 7.337387 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [
"Th4+",
"Ta3+",
"C4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250304 | SrNdTcH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.567677939463079,-1.6188232000000002e-9,2.637150472986935],[1.52255964399346,4.3064487480570595,2.637150472986934],[-1.6759287000000002e-9,-1.1850607e-9,5.27429995178064]],"pbc":[true,true,true],"a":5.274300368374264,"b":5.274301025380986,"c":5.27429995178064,"alpha":60.00000051623712,"beta":59.99999639557543,"gamma":59.999998128183485,"volume":103.74796399261474},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Sr","xyz":[4.567678186335458,3.2298365589398816,7.911450673315882]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.5225593954451524,1.0766121863132938,2.6371502244386273]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Tc","xyz":[0.0,0.0,0.0]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7616128056837681,0.761612805683874,0.23838719431621702],"properties":{"magmom":0.0},"label":"H","xyz":[4.638402932817708,3.2798465120261238,5.274300708971136]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23838719431618902,0.7616128056838251,0.23838719431622402],"properties":{"magmom":0.0},"label":"H","xyz":[2.2484768504118597,3.279846512872923,3.894476040474154]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7616128056837681,0.23838719431613903,0.23838719431627403],"properties":{"magmom":0.0},"label":"H","xyz":[3.8417607322453886,1.026602233000152,3.894476040474136]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.238387194316231,0.238387194316125,0.7616128056837821],"properties":{"magmom":0.0},"label":"H","xyz":[1.4518346489628968,1.0266022332270475,5.274300188783364]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7616128056838101,0.23838719431617503,0.7616128056837751],"properties":{"magmom":0.0},"label":"H","xyz":[3.8417607313687463,1.026602232380253,6.654124857280348]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.238387194316231,0.76161280568386,0.761612805683725],"properties":{"magmom":0.0},"label":"H","xyz":[2.248476849535216,3.279846512253019,6.6541248572803635]}]} | false | -10.769715 | -10.769715 | -0.629825 | 0 | true | -0.099185 | 1.8785 | 4.8766 | 2.9981 | 3.073476 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.