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-3249965 | CeTh3(Tc3Os)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.243626879148461,6.4161942e-9,0.0],[-2.621814428462253,4.541114404513104,0.0],[0.0,0.0,9.610085258280883]],"pbc":[true,true,true],"a":5.243626879148461,"b":5.243627650030964,"c":9.610085258280883,"alpha":90.0,"beta":90.0,"gamma":120.00000754365114,"volume":228.83448112647687},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.43728801917192306],"properties":{"magmom":0.0},"label":"Ce","xyz":[-3.281072424408023e-6,3.027411118852249,4.202375146666946]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.560034795663732],"properties":{"magmom":0.0},"label":"Th","xyz":[2.62181573175863,1.5137032920770452,5.381982133932378]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.935598371974201],"properties":{"magmom":0.0},"label":"Th","xyz":[2.62181573175863,1.5137032920770452,8.991180122180863]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.06727946313409901],"properties":{"magmom":0.0},"label":"Th","xyz":[-3.281072424408023e-6,3.027411118852249,0.646561376850057]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8308223480390061,0.16917765196116302,0.251441002307906],"properties":{"magmom":0.0},"label":"Tc","xyz":[3.912969987089427,0.7682550775732595,2.4163694696065767]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8308223480390491,0.661644696077885,0.251441002307906],"properties":{"magmom":0.0},"label":"Tc","xyz":[2.621812785282274,3.004604265359696,2.4163694696065767]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.338355303921957,0.16917765196095003,0.251441002307906],"properties":{"magmom":0.0},"label":"Tc","xyz":[1.3306565574630362,0.7682550744125282,2.4163694696065767]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.169344979100557,0.8306550208994211,0.7487653610046571],"properties":{"magmom":-0.0},"label":"Tc","xyz":[-1.2898414346082014,3.772099481674045,7.195698957702218]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16934497910055002,0.338689958201122,0.7487653610046571],"properties":{"magmom":-0.0},"label":"Tc","xyz":[-3.349265006326968e-7,1.5380298489376067,7.195698957702218]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6613100417988981,0.8306550208994491,0.7487653610046571],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.289839791758704,3.7720994848307154,7.195698957702218]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49879269346098404],"properties":{"magmom":0.0},"label":"Os","xyz":[0.0,0.0,4.793440310367618]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.000385566657378],"properties":{"magmom":-0.0},"label":"Os","xyz":[0.0,0.0,0.003705328450152954]}]} | false | -42.948641 | -42.948641 | -0.196571 | 0 | true | -0.009053 | 0 | null | null | 10.116295 | false | true | false | NM | 0.000014 | 0 | 0.000014 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249966 | K2NaTmAs2 | 72 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.394676033288022,-0.12902567716902802,-6.449725051703914],[-1.153597378231892,6.268886382115022,-6.47130264851399],[0.09465558512141001,0.129026653706618,9.081952936489374]],"pbc":[true,true,true],"a":9.083362947645227,"b":9.083362887807292,"c":9.083362631634245,"alpha":134.73624080208413,"beta":134.65325242997244,"gamma":66.00488175807152,"volume":372.92655327384807},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.682168750775474,0.39766452885368103,0.715495778079798],"properties":{"magmom":-0.0},"label":"K","xyz":[3.9712290748665677,2.4972144905555207,-0.4751094173794611]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.817831249224866,0.033328027303404,0.21549577807991901],"properties":{"magmom":-0.0},"label":"K","xyz":[5.211716642738755,0.13121308489739242,-3.5333399330162076]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.182168750775133,0.9666719726965951,0.7845042219200801],"properties":{"magmom":-0.0},"label":"K","xyz":[0.12401759743878016,6.137674273755214,-0.30573483071231855]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31783124922452505,0.602335471146318,0.28450422192020103],"properties":{"magmom":-0.0},"label":"K","xyz":[1.3645051653109663,3.7716728680970846,-3.3639653463490644]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.0,0.75],"properties":{"magmom":0.0},"label":"Na","xyz":[4.866998713807074,7.324031924896279e-7,1.9741709135890955]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.0,0.25],"properties":{"magmom":0.0},"label":"Na","xyz":[1.622332904602358,2.4413439749654264e-7,0.6580569711963651]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.5,0.75],"properties":{"magmom":0.0},"label":"Tm","xyz":[1.092862008047117,3.198956762045217,1.9633821151840576]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.5,0.25],"properties":{"magmom":0.0},"label":"Tm","xyz":[4.242872232130423,3.069930596607394,-5.8024568789125865]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40161657083149205,0.17897771139602903,0.777360140567076],"properties":{"magmom":0.0},"label":"As","xyz":[2.435321120394498,1.1704722653211188,3.3114128154795597]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5983834291685071,0.8210222886039701,0.22263985943292403],"properties":{"magmom":0.0},"label":"As","xyz":[2.900413119783037,5.098415093331488,-7.150487579208078]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.098383429169466,0.375743569735824,0.277360140566422],"properties":{"magmom":0.0},"label":"As","xyz":[0.22192704604260646,2.3785866097222743,-0.5471246826980597]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.901616570830533,0.6242564302641751,0.722639859433577],"properties":{"magmom":0.0},"label":"As","xyz":[5.113807194134928,3.8903007489303314,-3.291950081030468]}]} | false | -14.299842 | -14.299842 | -0.943705 | 0 | true | -0.011582 | 1.6549 | 2.6572 | 1.0023 | 1.033913 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Tm3+",
"K+",
"Na+",
"As3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249967 | Yb7In2SnN2 | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[12.284732483080232,0.002303803846641,0.0],[-11.344522795189205,4.713434336560233,0.0],[0.0,0.0,4.749742018067798]],"pbc":[true,true,true],"a":12.284732699100894,"b":12.284732829639905,"c":4.749742018067798,"alpha":90.0,"beta":90.0,"gamma":157.42729599288242,"volume":275.1497786756594},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.805265955414547,0.19473204458397902,0.0],"properties":{"magmom":0.0},"label":"Yb","xyz":[7.683334721262973,0.9197118801763581,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.596246769603311,0.40375123039598204,0.0],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.7443670216645426,1.9044285483782228,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.4037512303967,0.596246769604022,0.0],"properties":{"magmom":0.0},"label":"Yb","xyz":[-1.804159214192802,2.8113001605523897,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.194732044585457,0.8052659554160251,0.0],"properties":{"magmom":0.0},"label":"Yb","xyz":[-6.743126913791318,3.796016828754255,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.905011590165102,0.094987409834104,0.499999000000002],"properties":{"magmom":0.0},"label":"Yb","xyz":[10.040238443146352,0.44980188823566203,2.3748662592918905]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09498740983489201,0.9050115901658911,0.499999000000002],"properties":{"magmom":0.0},"label":"Yb","xyz":[-9.100029695465029,4.265931536433048,2.3748662592918905]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7074231135028911,0.292575886496507,0.499999000000002],"properties":{"magmom":-0.0},"label":"In","xyz":[5.371369888048406,1.3806669935522764,2.3748662592918905]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29257588649710403,0.7074231135034871,0.499999000000002],"properties":{"magmom":-0.0},"label":"In","xyz":[-4.4311611403670605,3.3350664311164295,2.3748662592918905]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.499999000000002,0.499999000000002],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.47010390373582783,2.357864354465306,2.3748662592918905]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8975272729230561,0.10247172707662601,0.0],"properties":{"magmom":-0.0},"label":"N","xyz":[9.863389600445092,0.48506148371342334,0.0]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.102471727076945,0.8975272729233761,0.0],"properties":{"magmom":-0.0},"label":"N","xyz":[-8.923180852763764,4.230671940955321,0.0]}]} | false | -29.658485 | -29.658485 | -1.002942 | 0 | true | -0.037969 | 0 | null | null | 4.823045 | false | true | false | NM | 0.001345 | 0.000005 | 0.001345 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249968 | Na4HoUS6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.783912418665208,-0.0019239663222510002,1.1530286042223241],[-3.683179597294055,5.69698759864251,1.15302861229236],[-0.0075007645843,-0.013777434883461,6.9514431947495945]],"pbc":[true,true,true],"a":6.881202392599808,"b":6.881202992629602,"c":6.951460894589839,"alpha":80.41571376588013,"beta":80.41570668597791,"gamma":119.98935155961948,"volume":268.8247429495793},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0000199037255015,0.9999800962744981,0.0],"properties":{"magmom":-0.0},"label":"Na","xyz":[-3.682971263167769,5.696874169071061,1.153028612292199]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499714618276321,0.5002853817236991,0.499999999999985],"properties":{"magmom":-0.001},"label":"Na","xyz":[1.5436289116319317,2.842269463924017,4.628750205634361]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.83959629989075,0.160403700109249,0.500000000000007],"properties":{"magmom":-0.001},"label":"Na","xyz":[5.101201747629207,0.9053138178517569,4.6287502028916325]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.160377076245794,0.8396229237542271,0.49999999999999206],"properties":{"magmom":-0.001},"label":"Na","xyz":[-2.0082483652710423,4.776124106628509,4.628750208372877]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6671750453048371,0.33282495469516904,0.9999999999999851],"properties":{"magmom":-0.001},"label":"Ho","xyz":[3.292702228079143,1.8810385822154596,8.104471801657732]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.332667994460834,0.6673320055391231,7.1e-15],"properties":{"magmom":1.317},"label":"U","xyz":[-0.2011130885077211,3.8011421177157856,1.1530286096077174]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.273374120270219,0.28268300789564904,0.229353127834059],"properties":{"magmom":-0.038},"label":"S","xyz":[0.81165347844129,1.6067557299436486,2.23548501631483]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42723024987115804,0.067132765629089,0.7709419072296051],"properties":{"magmom":-0.04},"label":"S","xyz":[2.6452479113011043,0.3710109547131081,5.929173572841664]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08682974566531201,0.43716828018597204,0.7732941082665401],"properties":{"magmom":-0.041},"label":"S","xyz":[-1.026924197297185,2.479721204010521,5.979694782339919]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.717316992103882,0.7266258797296451,0.77064687216616],"properties":{"magmom":-0.038},"label":"S","xyz":[2.18414159500128,4.127580994837894,7.022015395025397]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.562831719813864,0.91317025433468,0.226705891733765],"properties":{"magmom":-0.041},"label":"S","xyz":[0.4531305765188838,5.198113319458823,3.2778056317535267]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9328672343715211,0.572769750129005,0.22905809276989603],"properties":{"magmom":-0.04},"label":"S","xyz":[4.217157647766467,3.2581115252627812,3.328326835514038]}]} | false | -16.399281 | -16.399281 | -1.792253 | 0 | true | -0.049146 | 1.444 | 4.0453 | 2.6013 | 2.659619 | false | false | true | FM | 0.999996 | 0.00372 | 0.999996 | 1 | 1 | [
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"S2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249969 | PrNd4(B3Os)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.334657838970881,0.021589575243317,7.295112829636296],[2.3983575137258772,4.7651782301441274,7.295112830825398],[0.034878324204331006,0.021589590032507003,9.037481148341413]],"pbc":[true,true,true],"a":9.037572216351952,"b":9.037572325749776,"c":9.037574238396248,"alpha":35.95545931514344,"beta":35.9554570572033,"gamma":35.95545063590835,"volume":227.6007674708193},"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":0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.580759795263261,0.580759795263269,0.5807597952636241],"properties":{"magmom":-0.0},"label":"Nd","xyz":[4.5112803414238885,2.792500656516724,13.722022168824191]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.419240204736738,0.419240204736731,0.419240204736375],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.256613335477196,2.0158567389032274,9.905684639978903]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7516831858681521,0.7516831858681521,0.751683185868223],"properties":{"magmom":0.0},"label":"Nd","xyz":[5.838995066538088,3.61436140578196,17.76054992880039]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24831681413184703,0.24831681413184703,0.24831681413177603],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.928898610362995,1.1939959896379866,5.867156880002696]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000000000362,0.8268532169338131,0.173146783066101],"properties":{"magmom":0.0},"label":"B","xyz":[4.656457614703712,3.9546359045411568,11.244354714739753]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.173146783066314,0.49999999999957306,0.8268532169338271],"properties":{"magmom":0.0},"label":"B","xyz":[2.1516968550088293,2.404178702541839,12.38335209445182]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.826853216933329,0.17314678306661302,0.5000000000000641],"properties":{"magmom":0.0},"label":"B","xyz":[4.843686045639117,0.8537214860469279,11.813853404013049]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999999999637,0.17314678306618703,0.826853216933905],"properties":{"magmom":0.0},"label":"B","xyz":[3.1114360621973733,0.8537214908787956,12.383352094063403]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8268532169336851,0.500000000000426,0.173146783066172],"properties":{"magmom":0.0},"label":"B","xyz":[5.616196821892253,2.404178692878108,11.244354714351266]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17314678306667,0.8268532169333861,0.49999999999993605],"properties":{"magmom":0.0},"label":"B","xyz":[2.924207631261964,3.9546359093730192,11.813853404790047]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8803878734817091,0.8803878734817231,0.8803878734824261],"properties":{"magmom":0.0},"label":"Os","xyz":[6.8387593956390225,4.233219542293903,20.80154655265805]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.119612126518291,0.119612126518276,0.11961212651757301],"properties":{"magmom":0.0},"label":"Os","xyz":[0.9291342812620648,0.5751378531260445,2.826160256145045]}]} | false | -23.317789 | -23.317789 | -0.462052 | 0 | true | -0.00122 | 0 | null | null | 4.957197 | false | true | false | NM | 0.000583 | 0.000003 | 0.000583 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249970 | Ce3Ho(GaIr)4 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.344945009147101,0.0,0.0],[0.0,6.813090339530563,-0.041770511799106],[0.0,-0.048315863322784,7.806202677909697]],"pbc":[true,true,true],"a":4.344945009147101,"b":6.813218384160354,"c":7.806352200051773,"alpha":90.70589452758341,"beta":90.0,"gamma":90.0,"volume":231.07436828407785},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.46781170108458503,0.818160905780096],"properties":{"magmom":0.002},"label":"Ce","xyz":[3.258708756860326,3.147713230879029,6.367189119481695]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.9664304840964411,0.687330872543036],"properties":{"magmom":0.0},"label":"Ce","xyz":[3.258708756860326,6.551169210529989,5.3250758019164905]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.034033741143133005,0.311612836589418],"properties":{"magmom":0.0},"label":"Ce","xyz":[1.0862362522867752,0.21681910977808397,2.4310913526693647]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.5331109076133911,0.18914453940247],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.0862362522867752,3.6229940928451443,1.4542322945388604]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.643966105250527,0.561269162393919],"properties":{"magmom":-0.0},"label":"Ga","xyz":[1.0862362522867752,4.360281046529969,4.354482044709951]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.35970692497536305,0.43173035546665506],"properties":{"magmom":-0.0},"label":"Ga","xyz":[3.258708756860326,2.429856350764867,3.3551495146248045]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.8475781444616991,0.06821445507979701],"properties":{"magmom":-0.0},"label":"Ga","xyz":[3.258708756860326,5.771330627740968,0.4970920890321604]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.148352051662087,0.9367961386701751],"properties":{"magmom":-0.0},"label":"Ga","xyz":[1.0862362522867752,0.965473815831204,7.306623785218212]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.760480696647135,0.8821495463705771],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.0862362522867752,5.138601870813371,6.854472483282532]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.23639138596700301,0.112078960546654],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.258708756860326,1.605140676340897,0.865036892779884]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7416107955947661,0.38726710255282604],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.258708756860326,5.033950202761922,2.9921080305264645]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.26052606150385305,0.6142481246043731],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.0862362522867752,1.7453096643931851,4.784063048261645]}]} | false | -32.665543 | -32.665543 | -0.947898 | 0 | true | -0.022229 | 0 | null | null | 7.715692 | false | true | false | NM | 0.0012 | 0.000005 | 0.0012 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249971 | SrTbCuSe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.085870547461567,0.035664914050607004,0.0],[-5.922476343014062,3.8903873774530613,0.0],[0.0,0.0,10.649613010150876]],"pbc":[true,true,true],"a":7.085960301997008,"b":7.08596076620576,"c":10.649613010150876,"alpha":90.0,"beta":90.0,"gamma":146.41129733773667,"volume":295.8250135169858},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24792347269058002,0.752076527311302,0.25],"properties":{"magmom":-0.0},"label":"Sr","xyz":[-2.6974018079747824,2.9347111980752594,2.662403252537719]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7520765273094191,0.24792347268869702,0.75],"properties":{"magmom":-0.0},"label":"Sr","xyz":[3.8607960124222864,0.9913410934284052,7.987209757613157]},{"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":[0.0,0.0,5.324806505075438]},{"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":[0.5272335631869041,0.472766436815085,0.25],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.935960739210907,1.8580483179845233,2.662403252537719]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47276643681309505,0.527233563184914,0.75],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.22743346523659733,2.0680039735191413,7.987209757613157]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637895029396787,0.36210497060407204,0.431498975105007],"properties":{"magmom":0.0},"label":"Se","xyz":[2.3754834790844037,1.4314790783478395,4.595297099145052]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362104970603212,0.637895029395927,0.568501024894992],"properties":{"magmom":0.0},"label":"Se","xyz":[-1.2120892746369012,2.494573213155825,6.054315911005814]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637895029396787,0.36210497060407204,0.068501024894992],"properties":{"magmom":0.0},"label":"Se","xyz":[2.3754834790844037,1.4314790783478395,0.7295094059303759]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362104970603212,0.637895029395927,0.9314989751050071],"properties":{"magmom":0.0},"label":"Se","xyz":[-1.2120892746369012,2.494573213155825,9.920103604220492]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9214000007461821,0.07859999925422301,0.25],"properties":{"magmom":0.0},"label":"Se","xyz":[6.063414491574378,0.33864609679929103,2.662403252537719]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07859999925381801,0.9214000007457771,0.75],"properties":{"magmom":0.0},"label":"Se","xyz":[-4.900020287126874,3.5874061947043776,7.987209757613157]}]} | false | -18.485186 | -18.485186 | -1.792924 | 0 | true | -0.040122 | 1.3461 | 4.6561 | 3.31 | 3.348054 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Cu+",
"Sr2+",
"Se2-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249972 | SrSmCuS3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.817240796823735,0.051288998670165,0.0],[-5.683716545176582,3.764673622227063,0.0],[0.0,0.0,10.430779139095902]],"pbc":[true,true,true],"a":6.8174337285567,"b":6.817433626212011,"c":10.430779139095902,"alpha":90.0,"beta":90.0,"gamma":146.04999944321378,"volume":270.7433762900467},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250774480621544,0.7492255193784341,0.25],"properties":{"magmom":-0.0},"label":"Sr","xyz":[-2.5487954604642504,2.8334515219064715,2.6076947847739755]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749225519378455,0.25077448062156504,0.75],"properties":{"magmom":-0.0},"label":"Sr","xyz":[3.6823197121114024,0.982511098990753,7.823084354321926]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Sm","xyz":[0.0,0.0,5.215389569547951]},{"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":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.527156039676107,0.472843960323849,0.25],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.9062386193925087,1.8071404902784916,2.6076947847739755]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47284396032389203,0.52715603967615,0.75],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.22728563225464404,2.0088221306187326,7.823084354321926]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637643494235781,0.362356505764275,0.42470475519039],"properties":{"magmom":0.0},"label":"S","xyz":[2.287437575668623,1.3968580754210331,4.430001500714752]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362356505764218,0.6376434942357251,0.575295244809609],"properties":{"magmom":0.0},"label":"S","xyz":[-1.153913324021477,2.4191045454761952,6.00077763838114]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637643494235781,0.362356505764275,0.075295244809609],"properties":{"magmom":0.0},"label":"S","xyz":[2.287437575668623,1.3968580754210331,0.7853880688331886]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362356505764218,0.6376434942357251,0.9247047551903901],"properties":{"magmom":0.0},"label":"S","xyz":[-1.153913324021477,2.4191045454761952,9.645391070262704]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9231414663392591,0.076858533660576,0.25],"properties":{"magmom":0.0},"label":"S","xyz":[5.856435546163055,0.33669429575446974,2.6076947847739755]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07685853366074001,0.9231414663394231,0.75],"properties":{"magmom":0.0},"label":"S","xyz":[-4.722911294515902,3.4792683251427547,7.823084354321926]}]} | false | -15.214546 | -15.214546 | -1.909964 | 0 | true | -0.03211 | 1.4884 | 5.088 | 3.5996 | 3.77512 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Cu+",
"Sm3+",
"Sr2+",
"S2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249973 | Ce4Al(FeB3)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.964466305420367,8.135116999999999e-10,1.774089494040739],[2.16524095640303,4.467398400151084,1.774089504234253],[-0.136481442409841,-0.085518072248374,8.215040139906105]],"pbc":[true,true,true],"a":5.271936952441662,"b":5.271936118163014,"c":8.216618831677168,"alpha":71.28811878757698,"beta":71.28812059893099,"gamma":59.999995454285624,"volume":183.70158611898586},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.257892133487004,0.257892133482435,0.22632459954498702],"properties":{"magmom":0.834},"label":"Ce","xyz":[1.807806309080799,1.1327520612853057,2.7743131217610557]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7421078665129951,0.7421078665175641,0.773675400455012],"properties":{"magmom":0.834},"label":"Ce","xyz":[5.185419510332751,3.249128267430912,8.98890601642003]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40834453237535906,0.40834453237872004,0.774967402869506],"properties":{"magmom":0.833},"label":"Ce","xyz":[2.8056083088455157,1.7579639926426003,7.815267815532412]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.59165546762464,0.5916554676212791,0.225033597130497],"properties":{"magmom":0.833},"label":"Ce","xyz":[4.187617374086591,2.623916250555545,3.9479595376888468]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.025},"label":"Al","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.114358625124772,0.11435862512269,0.656926124628427],"properties":{"magmom":-1.683},"label":"Fe","xyz":[0.7256852949537237,0.4547064832217968,5.8024393547111135]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8856413748752271,0.8856413748773091,0.34307387537158],"properties":{"magmom":-1.683},"label":"Fe","xyz":[6.267540524459824,3.9271738454944205,5.960779783470038]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.168035026308231,0.8319649736915261,0.499999999999985],"properties":{"magmom":0.007},"label":"B","xyz":[2.567368140362381,3.6739599564637753,5.8816095724738835]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831964973692016,0.499999999999985,0.5],"properties":{"magmom":0.007},"label":"B","xyz":[5.144641836180518,2.1909401646281013,6.470545141307038]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49999999999975103,0.168035026308494,0.500000000000014],"properties":{"magmom":0.007},"label":"B","xyz":[2.777828752577437,0.7079203719824791,5.2926739934907205]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.168035026307983,0.500000000000014,0.5],"properties":{"magmom":0.007},"label":"B","xyz":[1.8485839832330313,2.190940164088116,5.292673996874056]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000000000248,0.831964973691505,0.499999999999985],"properties":{"magmom":0.007},"label":"B","xyz":[4.215397066836113,3.6739599567337384,6.470545144690364]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831964973691768,0.168035026308473,0.500000000000014],"properties":{"magmom":0.007},"label":"B","xyz":[4.425857679051168,0.7079203722524426,5.881609565707201]}]} | false | -16.107521 | -16.107521 | -0.492174 | 0 | true | -0.037461 | 0 | null | null | 8.857938 | false | true | true | FiM | 0.875361 | 0.004765 | 0.875361 | 6 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249974 | Ho2Er3Os2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.824492114352996,-9.455361999999998e-10,-2.367170339164722],[-0.36029260432647003,7.239892500587273,-0.8865106956284381],[-0.011435114261878002,-0.008603626277601,8.321114180805884]],"pbc":[true,true,true],"a":6.2871459188396015,"b":7.302859398499727,"c":8.321126485893126,"alpha":97.02770848941162,"beta":112.19636658068477,"gamma":89.99999952026245,"volume":350.6428026715975},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7925999937498031,0.584170535782497,0.8166820074477741],"properties":{"magmom":0.0},"label":"Ho","xyz":[4.396681237653311,4.222305453546596,4.401611609313833]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9759179863021571,0.9158294642173601,0.18331799255202702],"properties":{"magmom":0.0},"label":"Ho","xyz":[5.352163770499289,6.628929669383482,-1.5966467786106422]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20740000625019603,0.41582946421750205,0.183317992552225],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.0560831581113317,3.0089834198175334,0.6658215366988864]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.024082013697842002,0.084170535782632,0.816682007447973],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.10060062526535528,0.6023592039805965,6.664079924623375]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.204944086574911,0.6813313759250831,0.565858406324508],"properties":{"magmom":0.0},"label":"Er","xyz":[0.9417459047650965,4.92789748452698,3.619427294242919]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6390856802508651,0.8186686240748311,0.43414159367537003],"properties":{"magmom":0.0},"label":"Er","xyz":[3.4224247956392833,5.923337639277647,1.3739586137172755]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7950559134250881,0.31866862407491603,0.43414159367548405],"properties":{"magmom":0.0},"label":"Er","xyz":[4.511018490999546,2.3033913888371496,1.4480058517697418]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.360914319749134,0.18133137592516801,0.565858406324622],"properties":{"magmom":0.0},"label":"Er","xyz":[2.0303396001253593,1.307951234086482,3.6934745322953852]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.421150656793479,0.7500000000000141,0.9999999999999001],"properties":{"magmom":0.0},"label":"Er","xyz":[2.171334111941469,5.421315748764743,6.659295816002446]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.57884934320652,0.249999999999985,9.949999999999999e-14],"properties":{"magmom":0.0},"label":"Er","xyz":[3.2814302838231737,1.809973124599386,-1.5918626699897227]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.60234026560191,0.9208257239131891,0.779143399949852],"properties":{"magmom":0.0},"label":"Os","xyz":[3.1676498351513094,6.659975793707582,4.241177330327741]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.823196865651425,0.579174276086682,0.22085660004988403],"properties":{"magmom":0.0},"label":"Os","xyz":[4.583505923799598,4.191259329546899,-0.6243184074474577]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39765973439808905,0.07917427608681,0.220856600050147],"properties":{"magmom":0.0},"label":"Os","xyz":[2.2851145606133336,0.5713130796565473,0.8262558156849782]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.176803134348574,0.420825723913317,0.7791433999501151],"properties":{"magmom":0.0},"label":"Os","xyz":[0.8692584719650438,3.0400295438172305,5.691751553460177]}]} | false | -39.435029 | -39.435029 | -0.362251 | 0 | true | -0.000546 | 0 | null | null | 3.843031 | false | true | false | NM | 0.004759 | 0.000014 | 0.00238 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249975 | TbYb7Sb6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.580042172349328,4.4176329000000015e-9,-2.679949610383374],[-3.802131705559385,6.62744026243264,-2.714202466444728],[0.024222351409645,-1.9414537283e-6,8.108359648091927]],"pbc":[true,true,true],"a":8.03984883245875,"b":8.108394721977204,"c":8.108395828097999,"alpha":109.64183301048065,"beta":109.30005970130246,"gamma":109.30006613239114,"volume":407.7639573170008},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.353140299236649,0.49999999999999206,0.0],"properties":{"magmom":-0.003},"label":"Tb","xyz":[0.7757525081901988,3.3137201327763117,-2.303499440572268]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501636163993183,0.005818679278931,0.35769581854984905],"properties":{"magmom":-0.004},"label":"Yb","xyz":[3.788964127087641,0.03856225709353373,1.5401736255227412]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501150642604137,0.0007120654391380001,0.8503368553996251],"properties":{"magmom":-0.004},"label":"Yb","xyz":[3.816632797184807,0.004717522485071301,5.549845886446187]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.650813787204455,0.6496631446002751,0.6503752100394701],"properties":{"magmom":-0.004},"label":"Yb","xyz":[2.4788447302237318,4.305602421744141,1.7660106443203387]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.995817484714351,0.3518781392711,0.494181320721139],"properties":{"magmom":-0.004},"label":"Yb","xyz":[6.222421733892314,2.3320503926441565,0.3831906861052803]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14394034544324,0.14230418144995102,0.148121860729013],"properties":{"magmom":-0.004},"label":"Yb","xyz":[0.553602508399784,0.9431121747180623,0.4290300855695068]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.851716979961437,0.5000000000000281,7.1e-15],"properties":{"magmom":-0.004},"label":"Yb","xyz":[4.554984774233902,3.313720134979079,-3.63965982182694]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00043857716506300005,0.8496247899606001,0.49928793456091103],"properties":{"magmom":-0.004},"label":"Yb","xyz":[-3.2149669905258933,5.630836571603272,1.7411770762065755]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12859750223427102,0.7457226291551671,0.8751255789880331],"properties":{"magmom":0.0},"label":"Sb","xyz":[-1.8393635623675855,4.942230478622357,4.7271559063340405]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8828748730790601,0.12940294983275802,0.7542773708447611],"properties":{"magmom":0.0},"label":"Sb","xyz":[6.218492084031741,0.8576088593047748,3.3986662194997375]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6188557683983901,0.374293705218917,0.245874178858407],"properties":{"magmom":0.0},"label":"Sb","xyz":[3.2737945100201697,2.480608697323481,-0.6807749029194451]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.372982589540001,0.254125821141627,0.6284195263605451],"properties":{"magmom":0.0},"label":"Sb","xyz":[1.8762257151015613,1.6842024803580424,3.4061280535674814]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7445620631794511,0.8715804736394751,0.125706294781046],"properties":{"magmom":0.0},"label":"Sb","xyz":[2.332992988107141,5.776347282184615,-3.341762834267557]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.253471923246301,0.624874421012044,0.370597050167198],"properties":{"magmom":0.0},"label":"Sb","xyz":[-0.4455502484289746,4.141317178402226,0.6296064906014475]}]} | false | -32.503928 | -32.503928 | -0.991787 | 0.125611 | false | null | 0 | null | null | 5.108125 | false | true | false | NM | 0.02996 | 0.000073 | 0.02996 | 0 | 0 | [
"Yb3+",
"Sb3-",
"Yb2+",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249976 | Ho(AgO2)2 | 88 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.256681011129451,0.004751256918414,-3.860298379395007],[-1.344879332625263,5.081733331476797,-3.860298081265957],[-0.003654296504198,-0.004751536358861001,6.521854309915676]],"pbc":[true,true,true],"a":6.521857205211639,"b":6.521856740820858,"c":6.521857064574965,"alpha":126.32420420897337,"beta":126.32420545333281,"gamma":79.3559446656669,"volume":174.06759383174523},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.021},"label":"Ho","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.021},"label":"Ho","xyz":[3.604463776938673,1.2716210073785792,-0.5993711499049064]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875,0.625,0.25],"properties":{"magmom":-0.2},"label":"Ag","xyz":[3.7581327277214305,3.179052797886895,-4.159983805282936]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.625,0.75],"properties":{"magmom":-0.2},"label":"Ag","xyz":[1.1279650739046059,3.174301401248258,1.0310925393724062]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.125,0.75],"properties":{"magmom":-0.2},"label":"Ag","xyz":[1.8004047402172374,0.6334347355098591,2.9612415800053844]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.625,0.25],"properties":{"magmom":-0.2},"label":"Ag","xyz":[1.129792222156705,3.1766771694276885,-2.229834615585432]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39924802886355304,0.239594416339997,0.526210330647927],"properties":{"magmom":-0.12},"label":"O","xyz":[1.774571024738068,1.2169515539915108,0.9657447283803833]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.036616914310727,0.376961301788298,0.026210330649796002],"properties":{"magmom":-0.12},"label":"O","xyz":[-0.3145798061509112,1.9156662490028673,-1.4255952470643425]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9895944163391021,0.963383085692406,0.340345387478215],"properties":{"magmom":-0.12},"label":"O","xyz":[3.9051044527813388,4.898740591377949,-5.319392566689939]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12696130178626602,0.600751971140709,0.840345387480091],"properties":{"magmom":-0.12},"label":"O","xyz":[-0.1436147169846752,3.049471609796998,2.6714199981121665]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623038698213733,0.64924802885929,0.6596546125199081],"properties":{"magmom":-0.12},"label":"O","xyz":[2.3995448647938837,3.2991311926995124,-0.609234919367353]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.760405583660897,0.286616914307593,0.159654612521784],"properties":{"magmom":-0.12},"label":"O","xyz":[3.611161002661519,1.4593650043958366,-3.0005750438759318]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.713383085689272,0.8730386982117011,0.47378966935020306],"properties":{"magmom":-0.12},"label":"O","xyz":[2.5741642504643174,4.437688089852505,-3.03407398410652]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.350751971136446,0.010405583660002,0.9737896693520721],"properties":{"magmom":-0.12},"label":"O","xyz":[1.8262384556964035,0.04991791702820227,4.956738431630387]}]} | false | -15.745184 | -15.745184 | -1.533294 | 0 | true | -0.019151 | 0 | null | null | 5.04892 | false | true | false | NM | 1.913301 | 0.010992 | 0.95665 | 0 | 0 | [
"Ag3+",
"Ho2+",
"O2-"
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mp-3249977 | Zr2PaP4Pd7 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.342404152112757,-0.020954712742740002,4.348799120840344],[5.127727785190863,3.732684894067367,4.348799120681803],[-0.125701793561064,-0.040676931405483,9.264698445719661]],"pbc":[true,true,true],"a":7.690161462683669,"b":7.6901614124451205,"c":9.265640444339148,"alpha":56.33973548283414,"beta":56.33973617227438,"gamma":29.726736358850417,"volume":222.5965860801371},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.683968028204688,0.683968028204446,0.316785821226091],"properties":{"magmom":-0.0},"label":"Zr","xyz":[7.805382978501101,2.525818898227288,8.883804224908804]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.316031971795311,0.31603197179555303,0.683214178773909],"properties":{"magmom":-0.0},"label":"Zr","xyz":[3.539047165241445,1.1452343516918528,9.078492462332996]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.001},"label":"Pa","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34049429985199703,0.34049429985216,0.24534104453518002],"properties":{"magmom":0.0},"label":"P","xyz":[3.874674733870845,1.253843248490756,5.234493417618073]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.659505700148002,0.659505700147839,0.7546589554648191],"properties":{"magmom":0.0},"label":"P","xyz":[7.4697554098717,2.417210001428385,12.727803269623719]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8945261707715201,0.894526170771861,0.817076266819427],"properties":{"magmom":-0.0},"label":"P","xyz":[10.157625247906692,3.2870036307802093,15.350194469135763]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.105473829228479,0.10547382922813801,0.182923733180572],"properties":{"magmom":-0.0},"label":"P","xyz":[1.1868048958358532,0.3840496191389313,2.6121022181060267]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.309783893374238,0.309783893374074,0.017512130033843002],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.5510608228989375,1.149121887012647,2.8566204501687293]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.690216106625761,0.690216106625925,0.9824878699661561],"properties":{"magmom":-0.0},"label":"Pd","xyz":[7.793369320843608,2.5219313629064937,15.105676237073062]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.513990113869738,0.513990113870022,0.6978552471362091],"properties":{"magmom":-0.0},"label":"Pd","xyz":[5.807812764346042,1.8794060085351325,10.935897934034582]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.827823609896135,0.8278236098956661,0.44101455577104004],"properties":{"magmom":-0.0},"label":"Pd","xyz":[9.43980970567427,3.05471875882892,11.285944043112801]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.486009886130261,0.48600988612997703,0.302144752863789],"properties":{"magmom":-0.0},"label":"Pd","xyz":[5.536617379396504,1.791647241384008,7.026398753207198]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.172176390103864,0.17217639010433303,0.558985444228959],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.9046204380682743,0.6163344910902208,6.67635264412899]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Pd","xyz":[-0.062850896780532,-0.0203384657027415,4.632349222859831]}]} | false | -23.724364 | -23.724364 | -0.93243 | 0 | true | -0.024372 | 0 | null | null | 11.204662 | false | true | false | NM | 0.001852 | 0.000008 | 0.001852 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249978 | Yb3DyBi3 | 161 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.65257497341175,0.0,-2.7055939424450233],[-3.853124057395159,6.7667706558198395,-2.781498659852116],[0.053673141378568004,0.0,8.268591262149258]],"pbc":[true,true,true],"a":8.116781523798892,"b":8.268765621596788,"c":8.26876546206243,"alpha":109.84055811758735,"beta":109.09930782353848,"gamma":109.09930934976082,"volume":429.15693357720204},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5007417252518921,0.9982846458063931,0.6452087873377721],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.02007939238230791,6.755163247398203,1.2034365582106044]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.355532937914091,0.353075858468614,0.354791212662227],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.379340137471155,2.389183358363816,0.989615730589597]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.502458079445503,0.001715354193606,0.146924141531378],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.8463745316631903,0.011607408421630584,-0.1493631186058672]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002458079445482,0.646924141531386,0.501715354193606],"properties":{"magmom":0.0},"label":"Yb","xyz":[-2.446939696659709,4.3775872974560235,2.342409996218095]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8555329379141051,0.854791212662227,0.8530758584686211],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.29920062521033,5.784176094695414,2.36141024242817]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000741725251884,0.145208787337772,0.49828464580640003],"properties":{"magmom":0.0},"label":"Yb","xyz":[-0.5270868614954953,0.9825945611244191,3.714207213650717]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.141103798316201,0.5,7.1e-15],"properties":{"magmom":0.0},"label":"Dy","xyz":[-0.8467546330496803,3.3833853279099197,-1.7725189119062972]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.641103798316201,0.5,7.1e-15],"properties":{"magmom":0.0},"label":"Dy","xyz":[2.9795328536561945,3.3833853279099197,-3.125315883128809]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37623466831162405,0.623533340091022,0.755006205771508],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.517136248382801,4.21930710865326,3.490542326552722]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8762346683116101,0.255006205771501,0.12353334009100701],"properties":{"magmom":-0.0},"label":"Bi","xyz":[5.729511369741613,1.7255685102665488,-2.0585879338910065]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6212274625401051,0.7449937942284991,0.36852613431950904],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.9032161767875933,5.041202145553291,-0.7057965256657781]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12122746254011901,0.8685261343195161,0.24499379422848402],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-2.4056871101437243,5.877117159525942,-0.7180430207243637]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252701328220588,0.131473865680483,0.8764666599089701],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.4742734642674666,0.8896534962938915,6.1977430016111805]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7527013282205951,0.37646665990897704,0.63147386568049],"properties":{"magmom":-0.0},"label":"Bi","xyz":[4.343423788761768,2.547463547166573,2.1377536239215265]}]} | false | -46.015107 | -46.015107 | -0.718427 | 0 | true | -0.212189 | 0 | null | null | 4.759924 | false | true | false | NM | 0.002194 | 0.000005 | 0.001097 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249979 | Ca3SmBi3 | 9 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.8652620667454105,-0.001695759570916,-2.753853974736901],[-3.947288529680624,6.868585212402599,-2.791154481433312],[0.025395994530656003,-0.001695758597108,8.333391499913962]],"pbc":[true,true,true],"a":8.333430384203076,"b":8.399350742516301,"c":8.333430369480126,"alpha":109.50584395806341,"beta":109.1220035694071,"gamma":109.50584264951605,"volume":450.5657111107147},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.502339724535531,0.0026633764583080003,0.14312590926937901],"properties":{"magmom":-0.0},"label":"Ca","xyz":[3.9441552894735503,0.017199073769750658,-0.1980799064948622]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6431259092693721,0.502663376458308,0.0023397245355450003],"properties":{"magmom":-0.0},"label":"Ca","xyz":[3.074255857764638,3.451491679833952,-3.1545881367950996]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9974403439493281,0.6425916062457231,0.49949023460525405],"properties":{"magmom":-0.0},"label":"Ca","xyz":[5.321320275769505,4.411156770404234,-0.377929821902524]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.857398592122478,0.85450158202773,0.8573197634311641],"properties":{"magmom":-0.0},"label":"Ca","xyz":[3.392472817392963,5.866309181062302,2.398184788366649]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9994902346052681,0.142591606245723,0.497440343949314],"properties":{"magmom":-0.0},"label":"Ca","xyz":[7.311035408815072,0.9768641642009378,0.994919777915532]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.357319763431164,0.35450158202773,0.35739859212247105],"properties":{"magmom":-0.0},"label":"Ca","xyz":[1.420170045212691,2.4337123339450915,1.0048672595457595]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.142180219975429,0.500123491282096,0.000546138942034],"properties":{"magmom":0.0},"label":"Sm","xyz":[-0.8558331600058003,3.4348987870067402,-1.7829142982530801]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500546138942027,0.000123491282096,0.6421802199754361],"properties":{"magmom":0.0},"label":"Sm","xyz":[3.9527479089094615,-0.0010895781406468213,3.9727635290460266]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.619714040147137,0.7487533033125261,0.375242964888506],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.9281976747567837,5.1411886593714895,-0.6694415766838208]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75201729962481,0.37336728613519204,0.628630845468599],"properties":{"magmom":-0.0},"label":"Bi","xyz":[4.456989439869231,2.5621637736491265,2.1255553406522214]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25107651258488,0.12799835453844102,0.873478410455462],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.4917189865315743,0.8772606312714349,6.230346328016895]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37347841045546204,0.627998354538441,0.7510765125848871],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.4776892079815341,4.311553237353539,3.47766919904601]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.128630845468606,0.8733672861351921,0.25201729962481],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-2.4293171313192197,5.998152139054593,-0.6917747571763181]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875242964888514,0.24875330331251802,0.119714040147137],"properties":{"magmom":-0.0},"label":"Bi","xyz":[5.905154487146566,1.706896052921299,-2.1069762504483087]}]} | false | -33.417844 | -33.417844 | -1.081469 | 0 | true | -0.03206 | 0.5682 | 4.9129 | 4.3447 | 4.469105 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249980 | Ho4Tm6IrOs3 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.831520935777755,0.0028559238866000002,-2.386341037220292],[-0.35505873920215203,7.197435778409265,-0.873666378181813],[0.017579172354984,-0.012271642748333,8.277674767602488]],"pbc":[true,true,true],"a":6.300894232300454,"b":7.258955946482588,"c":8.277702530214487,"alpha":97.00352640035808,"beta":112.1334091318656,"gamma":89.95629489010669,"volume":347.66790635506425},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9724122847082121,0.9149259639522491,0.18270582674649902],"properties":{"magmom":0.001},"label":"Ho","xyz":[5.349001954477854,6.585655902383152,-1.6074679813735675]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7888230400024551,0.5830076866032591,0.815425269243597],"properties":{"magmom":0.001},"label":"Ho","xyz":[4.407370599598297,4.188406593616036,4.358070170613638]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.023320874579177003,0.084369095460104,0.8114980466283721],"properties":{"magmom":0.001},"label":"Ho","xyz":[0.12030564771484038,0.5973493347801528,6.587954902441121]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.208875357986627,0.41725649811244303,0.182603036238724],"properties":{"magmom":0.001},"label":"Ho","xyz":[1.0731204671699635,3.001532541186969,0.6485377336545964]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.646448371793482,0.8175376477296431,0.43731866065010605],"properties":{"magmom":0.002},"label":"Tm","xyz":[3.4871910276695712,5.880654304941664,1.363080208890835]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.208681095693265,0.681755327184923,0.56389766580704],"properties":{"magmom":0.001},"label":"Tm","xyz":[0.9847778457794816,4.900566210626349,3.574150509908134]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35522943480884,0.180647094375835,0.565324169101181],"properties":{"magmom":0.001},"label":"Tm","xyz":[2.0173254875277014,1.294272912314196,3.6740457394993786]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7951960679936361,0.320363923255911,0.436828308067269],"properties":{"magmom":0.001},"label":"Tm","xyz":[4.531133587992992,2.302709181859807,1.4384224652423796]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.421055404620638,0.749482444553486,0.9991882052588601],"properties":{"magmom":0.001},"label":"Tm","xyz":[2.2068480170256297,5.383292583213252,6.611375590923763]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.57828854703871,0.249975870792276,0.9998960132447651],"properties":{"magmom":0.001},"label":"Tm","xyz":[3.301122995816162,1.7885664575941518,6.678424794241611]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39909680518157803,0.07702149400117901,0.22345021440720803],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.303922290098686,0.5527549455263605,0.8299760278794377]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.821256451247492,0.5768292316814221,0.21904329253210603],"properties":{"magmom":0.001},"label":"Os","xyz":[4.588216529149166,4.151348775019964,-0.6505851417607177]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.603646730910107,0.9238596281383301,0.780682446358213],"properties":{"magmom":0.0},"label":"Os","xyz":[3.205877865628567,6.641564054826967,4.214583326510888]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.177669533435754,0.42296809415891,0.782139845716031],"properties":{"magmom":0.001},"label":"Os","xyz":[0.8996544567992083,3.0351949639235145,5.680786164008291]}]} | false | -40.027246 | -40.027246 | -0.486767 | 0 | true | -0.00114 | 0 | null | null | 3.89025 | false | true | false | NM | 0.014105 | 0.000041 | 0.014105 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249981 | U2SiH4 | 140 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.717021910511905,-0.058963614145606004,-1.6373289534083781],[-3.262014133899013,4.695432606583633,-1.637328951291403],[0.031221693509342,0.058963604618507005,5.946780981676832]],"pbc":[true,true,true],"a":5.9471558189386355,"b":5.947156435428844,"c":5.947155248086976,"alpha":105.68493460318658,"beta":105.68492893504863,"gamma":117.3422963502064,"volume":159.60084334939626},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.832329724763418,0.6676702752364171,0.500000000000007],"properties":{"magmom":2.277},"label":"U","xyz":[2.5961082453920383,3.115405414368127,0.5173970621396017]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6676702752364171,0.16767027523642503,0.8353395504730871],"properties":{"magmom":2.277},"label":"U","xyz":[3.296223500289257,0.7971708559907282,3.599854083105505]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.167670275236581,0.332329724763582,0.49999999999999206],"properties":{"magmom":2.277},"label":"U","xyz":[-0.1098787752698073,1.5800271826884031,2.1547260148374465]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.332329724763582,0.832329724763575,0.164660449526913],"properties":{"magmom":2.277},"label":"U","xyz":[-0.809994030167028,3.8982617410658067,-0.9277310061284526]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.0],"properties":{"magmom":-0.101},"label":"Si","xyz":[1.8412558324596695,3.4773517443285207,-2.455993428524836]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.0],"properties":{"magmom":-0.101},"label":"Si","xyz":[0.613751944153223,1.159117248109507,-0.8186644761749453]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.223978135883093,0.9762853500328531,0.500000000000135],"properties":{"magmom":-0.016},"label":"H","xyz":[-1.8885578534517813,4.600357307802173,1.008164335696943]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.476285350032625,0.723978135883037,0.500000000000106],"properties":{"magmom":-0.016},"label":"H","xyz":[0.37691771666269663,3.4007888423855794,1.0081643351631076]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7239781358828311,0.22397813588290202,0.24769378585023802],"properties":{"magmom":-0.016},"label":"H","xyz":[3.416112440105315,1.023590793387682,-0.07913555487921034]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9762853500328811,0.47628535003298106,0.7523062141500031],"properties":{"magmom":-0.016},"label":"H","xyz":[4.051283467516507,2.2231591360707985,2.0954642236223076]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.276021864117169,0.7760218641170981,0.7523062141497611],"properties":{"magmom":-0.016},"label":"H","xyz":[-0.929882969983081,3.6718418036688525,2.7512586318562553]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.523714649967374,0.276021864116962,0.49999999999989303],"properties":{"magmom":-0.016},"label":"H","xyz":[2.109311753459535,1.2946437546709502,1.6639587418139405]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.023714649967118,0.523714649967018,0.24769378584999602],"properties":{"magmom":-0.016},"label":"H","xyz":[-1.5650539973942756,2.4722734609857318,0.5766588533547411]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7760218641169061,0.023714649967146003,0.49999999999986505],"properties":{"magmom":-0.016},"label":"H","xyz":[4.374787323574013,0.09507528925435724,1.6639587412801111]}]} | false | -26.510415 | -26.510415 | -0.442088 | 0 | true | -0.002426 | 0 | null | null | 9.561125 | false | true | true | FM | 9.706438 | 0.060817 | 4.853219 | 4 | 1 | [
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mp-3249982 | Ac2HgO4 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.60340716512024,-0.016118507634530002,3.602893140602465],[5.351803651605464,3.8682605316013983,3.602893140611783],[-0.063268130817471,-0.02038633855441,10.634640208728085]],"pbc":[true,true,true],"a":7.522372297171284,"b":7.522372022729941,"c":10.634847945705332,"alpha":61.72334494535471,"beta":61.723344726918526,"gamma":31.47856056678698,"volume":273.5427963579678},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.619398200081903,0.619398200081626,0.546483512515592],"properties":{"magmom":0.0},"label":"Ac","xyz":[7.370461071118689,2.3748690382033195,10.27490658836325]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15966177146648802,0.15966177146658803,0.20185721576859],"properties":{"magmom":-0.0},"label":"Ac","xyz":[1.8960190085205828,0.6109246899471306,3.297167465702492]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.840338228533511,0.8403382285334111,0.798142784231409],"properties":{"magmom":-0.0},"label":"Ac","xyz":[9.995923677387639,3.2208309954653247,14.543259024239825]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.380601799918096,0.380601799918373,0.45351648748440704],"properties":{"magmom":0.0},"label":"Ac","xyz":[4.521481614789534,1.4568866472091349,7.565519901579067]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8820696340063061,0.8820696340062,0.16317836218664802],"properties":{"magmom":-0.0},"label":"Hg","xyz":[10.5350044396115,3.394530895884065,8.091348439502452]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11793036599369301,0.11793036599380001,0.8368216378133511],"properties":{"magmom":-0.0},"label":"Hg","xyz":[1.356938246296727,0.4372247895283932,9.749078050439868]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22364332985760102,0.22364332985762303,0.39297594707278405],"properties":{"magmom":-0.0},"label":"O","xyz":[2.648840302574744,0.8534945286236686,5.790683845976282]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7954985212611441,0.7954985212623951,0.063816922717329],"properties":{"magmom":-0.0},"label":"O","xyz":[9.506314948662379,3.063072290366377,6.410862343561279]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.037946258506195006,0.037946258507375,0.7282802104620031],"properties":{"magmom":0.0},"label":"O","xyz":[0.4075785925265621,0.13132741011563318,8.01843063837177]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.579871509607038,0.579871509607095,0.34481929062667405],"properties":{"magmom":-0.0},"label":"O","xyz":[6.910670071977673,2.2267178078597922,7.845459261637119]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.420128490392961,0.420128490392905,0.6551807093733261],"properties":{"magmom":-0.0},"label":"O","xyz":[4.981272613930554,1.6050378775526661,9.994967228305212]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9620537414938041,0.9620537414926241,0.271719789537996],"properties":{"magmom":0.0},"label":"O","xyz":[11.48436409338166,3.700428275296822,9.821995851570547]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20450147873885502,0.20450147873760402,0.93618307728267],"properties":{"magmom":-0.0},"label":"O","xyz":[2.3856277372458434,0.7686833950460773,11.429564146381036]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7763566701423981,0.7763566701423771,0.6070240529272151],"properties":{"magmom":-0.0},"label":"O","xyz":[9.243102383333484,2.9782611567887898,12.049742643966038]}]} | false | -32.862254 | -32.862254 | -2.786126 | 0 | true | -0.09198 | 2.4224 | 5.1535 | 2.7311 | 2.822715 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
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mp-3249983 | AcNd(BRu)4 | 22 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.76445638113065,0.014363202019603002,3.765141730010757],[3.265120105801369,4.719418196195348,1.884467173732361],[0.025995851092961,-0.048937958880092,5.64960989760763]],"pbc":[true,true,true],"a":6.885162011063975,"b":6.040292538011957,"c":5.649881653914487,"alpha":72.08008863874848,"beta":56.58793644879787,"gamma":51.33198478671227,"volume":152.90076821190559},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.0,0.0,0.0]},{"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":[2.263893084506245,1.1712108598337148,2.824804700337687]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32374698236723204,0.6762530176326821,0.323746982367268],"properties":{"magmom":-0.0},"label":"B","xyz":[4.082688761205316,3.1803273234480276,4.322374042044883]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.676253017632767,0.323746982367318,0.676253017632731],"properties":{"magmom":-0.0},"label":"B","xyz":[4.972883576819659,1.5045161158868319,6.976844759305855]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.571780794364677,0.928219205635159,0.571780794364777],"properties":{"magmom":-0.0},"label":"B","xyz":[6.341616567981869,4.3608854271899,7.132372787433727]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9282192056353221,0.5717807943648411,0.9282192056352231],"properties":{"magmom":-0.0},"label":"B","xyz":[7.241741939055596,2.666379731812389,9.816455414592392]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6365560013900761,0.6365560013896,0.363443998610023],"properties":{"magmom":0.0},"label":"Ru","xyz":[5.757279138834239,2.9955307508409925,5.649609264956873]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36344399860992305,0.36344399861039905,0.636556001389976],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.2982931991907334,1.6893126884938623,5.649609536393864]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6144670227682091,0.614467022768849,0.885532977231648],"properties":{"magmom":-0.0},"label":"Ru","xyz":[5.571397164199053,2.865416385772963,8.474414235714876]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.88553297723179,0.8855329772311501,0.6144670227683521],"properties":{"magmom":-0.0},"label":"Ru","xyz":[8.01196134283841,4.1618487732293215,8.474413966311241]}]} | false | -23.460261 | -23.460261 | -0.546356 | 0 | true | -0.075823 | 0 | null | null | 7.893738 | 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-3249984 | La2Ni3PPt5 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.15807210759197,-0.0052859883905250005,0.0],[-7.567508386296873,5.157820725701938,0.0],[0.0,0.0,3.9776248119219852]],"pbc":[true,true,true],"a":9.158073633113423,"b":9.158072822114594,"c":3.9776248119219852,"alpha":90.0,"beta":90.0,"gamma":145.75572614478932,"volume":187.7267569570582},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6191010403565821,0.366176251548516,0.5],"properties":{"magmom":-0.0},"label":"La","xyz":[2.898730115014636,1.8853988985848953,1.9888124059609926]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36617625154923406,0.619101040357662,0.5],"properties":{"magmom":-0.0},"label":"La","xyz":[-1.3315837990961048,3.1912765738458058,1.9888124059609926]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19311499681035102,0.789966961586536,0.5],"properties":{"magmom":0.001},"label":"Ni","xyz":[-4.209520540856983,4.073487163459646,1.9888124059609926]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.789966961586358,0.193114996810088,0.5],"properties":{"magmom":0.001},"label":"Ni","xyz":[5.773175038943168,0.9918767768030917,1.9888124059609926]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.008480368619707001,0.008480368619949,0.5],"properties":{"magmom":0.001},"label":"Ni","xyz":[0.013488566667884002,0.04369539389949415,1.9888124059609926]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.2182378570864,0.218237857085767,0.0],"properties":{"magmom":-0.0},"label":"P","xyz":[0.34712121809960206,1.1244781396308148,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11284406580830302,0.8881379907920951,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[-5.687557601921742,4.580260043768942,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8881379907923511,0.112844065809099,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[7.2796833468140125,0.5773347742941317,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49073684953411606,0.9869363341629761,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-2.974445531633469,5.087846650004652,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.986936334162784,0.49073684953398805,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.3247788895519,2.5259157593875052,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.639866283693805,0.6398662836933291,0.0],"properties":{"magmom":-0.001},"label":"Pt","xyz":[1.0177480973268846,3.2969332539642346,0.0]}]} | false | -33.80152 | -33.80152 | -0.903759 | 0 | true | -0.024373 | 0 | null | null | 9.682827 | false | true | false | NM | 0.000107 | 0.000001 | 0.000107 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249985 | SrLaZn5Si3 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.248253307191362,0.0,0.0],[0.0,4.248253307191362,0.0],[0.0,0.0,10.462930235287127]],"pbc":[true,true,true],"a":4.248253307191362,"b":4.248253307191362,"c":10.462930235287127,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":188.83136733410814},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9971360752097661],"properties":{"magmom":-0.0},"label":"Sr","xyz":[0.0,0.0,10.4329651900078]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.503787016108958],"properties":{"magmom":0.0},"label":"La","xyz":[2.124126653595681,2.124126653595681,5.2710884029914995]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.25272124491937104],"properties":{"magmom":0.0},"label":"Zn","xyz":[0.0,2.124126653595681,2.6442047545662906]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.748536934079957],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.124126653595681,0.0,7.831889719814309]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.25272124491937104],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.124126653595681,0.0,2.6442047545662906]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.748536934079957],"properties":{"magmom":0.0},"label":"Zn","xyz":[0.0,2.124126653595681,7.831889719814309]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.11783646885687901],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.124126653595681,2.124126653595681,1.2329147528221094]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6124624851545161],"properties":{"magmom":0.0},"label":"Si","xyz":[0.0,0.0,6.408152253902279]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.38695767596571],"properties":{"magmom":-0.0},"label":"Si","xyz":[0.0,0.0,4.048711167638066]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.8793049207055],"properties":{"magmom":0.0},"label":"Si","xyz":[2.124126653595681,2.124126653595681,9.200106040886325]}]} | false | -12.007358 | -12.007358 | -0.430883 | 0 | true | -0.009427 | 0 | null | null | 5.639283 | false | true | false | NM | 0.000029 | 0 | 0.000029 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249986 | YbCdH6Os | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.261376872850675,-8.514232e-9,2.460307476362503],[1.420459609997261,4.017664649623731,2.460307476362502],[-5.3945648000000016e-9,-3.8145329000000006e-9,4.920613971457169]],"pbc":[true,true,true],"a":4.9206143651694365,"b":4.920614557015716,"c":4.920613971457169,"alpha":59.99999740258619,"beta":59.99999611286418,"gamma":59.9999911535555,"volume":84.24476525793712},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.261377358090028,3.0132484779712243,7.380921693136631]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Cd","xyz":[1.4204591193633427,1.0044161593237415,2.460307231045544]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755853945333221,0.244146054667318,0.24414605466691303],"properties":{"magmom":-0.0},"label":"H","xyz":[3.567778130173973,0.9808969658151674,3.661655964033987]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24414605466677802,0.755853945332681,0.755853945333086],"properties":{"magmom":-0.0},"label":"H","xyz":[2.1140583472793923,3.0367676714797947,6.179572960148178]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24414605466716202,0.755853945333065,0.24414605466706202],"properties":{"magmom":-0.0},"label":"H","xyz":[2.114058350042016,3.036767673433264,3.661655964033952]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755853945332837,0.244146054666934,0.755853945332937],"properties":{"magmom":-0.0},"label":"H","xyz":[3.5677781274113496,0.980896963861698,6.179572960148213]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244146054667489,0.24414605466779402,0.7558539453327451],"properties":{"magmom":-0.0},"label":"H","xyz":[1.3871979564760557,0.9808969682219529,4.920614211031742]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755853945332511,0.7558539453322051,0.24414605466725403],"properties":{"magmom":-0.0},"label":"H","xyz":[4.294638520977314,3.036767669073009,4.920614713150425]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Os","xyz":[0.0,0.0,0.0]}]} | false | -14.759747 | -14.759747 | -0.276384 | 0 | true | -0.001674 | 0 | null | null | 4.653008 | false | true | false | NM | 0.000021 | 0 | 0.000021 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249987 | TbSmPPt8 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.058058718621133,0.010495717716021001,0.0],[-7.451452601203169,5.133148613495027,0.0],[0.0,0.0,4.265445626784161]],"pbc":[true,true,true],"a":9.058064799397203,"b":9.048389942757959,"c":4.265445626784161,"alpha":90.0,"beta":90.0,"gamma":145.371473231906,"volume":198.66129548021246},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625323703907504,0.371774941430338,0.5],"properties":{"magmom":-0.0},"label":"Tb","xyz":[2.893955473756579,1.9149392462126842,2.1327228133920806]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37208996392394,0.621829447849201,0.5],"properties":{"magmom":-0.0},"label":"Sm","xyz":[-1.2631199148479915,3.1958483192838143,2.1327228133920806]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22584037763613202,0.22650077522172302,0.0],"properties":{"magmom":-0.0},"label":"P","xyz":[0.3579156109632127,1.1650324971374846,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.110197056952593,0.891962940989635,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[-5.64824816431822,4.579734931032802,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8899313130798341,0.10915977102993601,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[7.2476512296289854,0.5696737951604844,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48652028935686703,0.9805915553362321,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[-2.8999021469329818,5.038628562299318,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9777054601114791,0.48728033872208704,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.225167119720412,2.5115441156134106,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19331188445740102,0.794021998634953,0.5],"properties":{"magmom":0.0},"label":"Pt","xyz":[-4.1655868867185175,4.077861868347976,2.1327228133920806]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7919435821573161,0.194241151423064,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.7260927359840395,1.0053807133963162,2.1327228133920806]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.007376540755494001,0.007129559753998001,0.5],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.01369156272920473,0.03667451185555517,2.1327228133920806]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.633359827661458,0.6291055196088421,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.0492605484526707,3.2359396916859984,0.0]}]} | false | -44.786181 | -44.786181 | -0.980439 | 0 | true | -0.000189 | 0 | null | null | 8.505435 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249988 | NdMnOs2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8133088448076125,0.029713401083371,0.0],[-4.47032417105319,3.716404148690736,0.0],[0.0,0.0,7.402726046181503]],"pbc":[true,true,true],"a":5.81338478094495,"b":5.813386103701362,"c":7.402726046181503,"alpha":90.0,"beta":90.0,"gamma":139.96870571927795,"volume":160.91626621010718},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.542077003808167,0.457922996185921,0.25],"properties":{"magmom":-0.039},"label":"Nd","xyz":[1.104196802473807,1.717933874238473,1.8506815115453759]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.457922996191833,0.5420770038140781,0.75],"properties":{"magmom":-0.039},"label":"Nd","xyz":[0.23878787128061998,2.028183675535631,5.552044534636128]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.269127863079063,0.7308721369319641,0.25],"properties":{"magmom":2.991},"label":"Mn","xyz":[-1.7027119928545669,2.7242129459947937,1.8506815115453759]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7308721369209361,0.26912786306803504,0.75],"properties":{"magmom":2.991},"label":"Mn","xyz":[3.045696666608988,1.02190460377931,5.552044534636128]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831105571636051,0.16889442833159002,0.05926771122428601],"properties":{"magmom":-0.303},"label":"Os","xyz":[4.076460525233824,0.6523749273349176,0.43874262957758586]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16889442836394802,0.831105571668409,0.940732288775713],"properties":{"magmom":-0.303},"label":"Os","xyz":[-2.7334758514794033,3.0937426224391857,6.96398341660391]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16889442836394802,0.831105571668409,0.5592677112242861],"properties":{"magmom":-0.303},"label":"Os","xyz":[-2.7334758514794033,3.0937426224391857,4.140105652668338]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831105571636051,0.16889442833159002,0.440732288775713],"properties":{"magmom":-0.303},"label":"Os","xyz":[4.076460525233824,0.6523749273349176,3.2626203935131586]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.008},"label":"C","xyz":[0.0,0.0,0.0]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.008},"label":"C","xyz":[0.0,0.0,3.7013630230907517]}]} | false | -32.274988 | -32.274988 | -0.271181 | 0 | true | -0.084122 | 0 | null | null | 6.349485 | false | true | true | FiM | 4.764257 | 0.029607 | 2.382129 | 6 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249989 | CeMnOs2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.82737552102227,0.039686059937373,0.0],[-4.502039565139436,3.700203723966481,0.0],[0.0,0.0,7.365307984146903]],"pbc":[true,true,true],"a":5.827510656048852,"b":5.827509574847243,"c":7.365307984146903,"alpha":90.0,"beta":90.0,"gamma":140.19319206025236,"volume":160.13022749674965},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5426207793843211,0.45737922062833203,0.25],"properties":{"magmom":-0.707},"label":"Ce","xyz":[1.1029156994408282,1.7139307762077511,1.8413269960367258]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45737922061568503,0.5426207793716671,0.75],"properties":{"magmom":-0.707},"label":"Ce","xyz":[0.22242025644204538,2.0259590076961,5.523980988110178]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27064347286496804,0.7293565271221211,0.25],"properties":{"magmom":2.8850000000000002},"label":"Mn","xyz":[-1.7064507934987134,2.7095085108423103,1.8413269960367258]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7293565271350311,0.27064347287787804,0.75],"properties":{"magmom":2.8850000000000002},"label":"Mn","xyz":[3.031786749381546,1.0303812730615407,5.523980988110178]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831882015012247,0.168117985016039,0.058027288586515006],"properties":{"magmom":-0.23600000000000002},"label":"Os","xyz":[4.090815070507323,0.6550849137306872,0.4273888519246554]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16811798498775202,0.8318820149839611,0.941972711413484],"properties":{"magmom":-0.23600000000000002},"label":"Os","xyz":[-2.765479114624494,3.084804870173167,6.937919132222241]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16811798498775202,0.8318820149839611,0.5580272885865151],"properties":{"magmom":-0.23600000000000002},"label":"Os","xyz":[-2.765479114624494,3.084804870173167,4.110042843998108]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831882015012247,0.168117985016039,0.44197271141348404],"properties":{"magmom":-0.23600000000000002},"label":"Os","xyz":[4.090815070507323,0.6550849137306872,3.255265140148789]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.003},"label":"C","xyz":[0.0,0.0,0.0]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.003},"label":"C","xyz":[0.0,0.0,3.6826539920734516]}]} | false | -32.561629 | -32.561629 | -0.273298 | 0 | true | -0.072709 | 0 | null | null | 7.829064 | false | true | true | FiM | 3.304136 | 0.020634 | 1.652068 | 8 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249990 | Yb2NiGeI | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.104007284333023,7.102715500000003e-9,0.0],[-2.05200412983664,3.554174827994785,0.0],[0.0,0.0,16.41382022302198]],"pbc":[true,true,true],"a":4.104007284333023,"b":4.104007755453002,"c":16.41382022302198,"alpha":90.0,"beta":90.0,"gamma":120.00000396503083,"volume":239.4178808746843},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.608106710575754],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,9.981354223803685]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.393156991337335],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,6.453208175235226]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.10810671057575401],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,1.7744441122926953]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8931569913373351],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,14.660118286746217]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9978456933097911],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.052005531613584,1.1847237626751426,16.378459820303636]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.49784569330979106],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-2.377117202852869e-6,2.3694510724223545,8.171549708792647]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5024146538905181],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.052005531613584,1.1847237626751426,8.246543806370774]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.002414653890518],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-2.377117202852869e-6,2.3694510724223545,0.03963369485978305]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.24847595088659302],"properties":{"magmom":-0.0},"label":"I","xyz":[2.052005531613584,1.1847237626751426,4.078439587596977]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.748475950886593],"properties":{"magmom":-0.0},"label":"I","xyz":[-2.377117202852869e-6,2.3694510724223545,12.285349699107966]}]} | false | -25.62766 | -25.62766 | -0.933432 | 0 | true | -0.090976 | 0 | null | null | 5.451636 | false | true | false | NM | 0.000572 | 0.000002 | 0.000286 | 0 | 0 | [
"Ni+",
"I-",
"Ge4-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249991 | Nd2TiSi3Ir4 | 115 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.118260364645647,0.0,0.0],[0.0,4.118260364645647,0.0],[0.0,0.0,10.387488433711573]],"pbc":[true,true,true],"a":4.118260364645647,"b":4.118260364645647,"c":10.387488433711573,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":176.17251466208668},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.244132906741882],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,2.0591301823228236,2.5359277450696855]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7558670932581181],"properties":{"magmom":0.0},"label":"Nd","xyz":[2.0591301823228236,0.0,7.8515606886418885]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Ti","xyz":[0.0,0.0,5.193744216855786]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0591301823228236,2.0591301823228236,5.193744216855786]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.8760811239491201],"properties":{"magmom":-0.0},"label":"Si","xyz":[0.0,2.0591301823228236,9.10028254201452]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.12391887605088601],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0591301823228236,0.0,1.2872058916971165]},{"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":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.0591301823228236,2.0591301823228236,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.639928350605885],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.0,2.0591301823228236,6.647248340322755]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.360071649394115],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.0591301823228236,0.0,3.7402400933888185]}]} | false | -31.870087 | -31.870087 | -1.116839 | 0 | true | -0.025757 | 0 | null | null | 7.46448 | false | true | false | NM | 0.000029 | 0 | 0.000029 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249992 | SmPPt8Pb | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.029710313342937,-0.06936132617143001,0.0],[-7.485283115037485,5.295791811849621,0.0],[0.0,0.0,4.263872356569082]],"pbc":[true,true,true],"a":9.029976707415145,"b":9.169235204024313,"c":4.263872356569082,"alpha":90.0,"beta":90.0,"gamma":145.1609342355304,"volume":201.6823426081478},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.618843354508072,0.36619791256126805,0.5],"properties":{"magmom":-0.0},"label":"Sm","xyz":[2.8468811688884443,1.8963841110973305,2.131936178284541]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21324430086876503,0.20941615795651802,0.0],"properties":{"magmom":0.0},"label":"P","xyz":[0.3579950316483446,1.094233467068378,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.102478110195534,0.883384758761877,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[-5.687037370317233,4.671113754537197,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8779377775877251,0.09390918138656401,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[7.224586994977419,0.4364285452949839,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49386267724283006,0.996983072457823,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-3.0032636481719996,5.24555982143468,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9761875523122321,0.490881256698223,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.14030562661917,2.5318952765924827,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19434999247047802,0.7910234534489361,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-4.166110368291164,4.175615154536725,2.131936178284541]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8160222285905541,0.212111430460687,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.780730224487385,1.0666975926730098,2.131936178284541]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00231492802208,0.9962784258190631,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-7.436522949223937,5.275922563297422,2.131936178284541]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.61372674615832,0.6165428831754121,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.9267766962307442,3.222513851354087,0.0]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.404629332043406,0.6568704672736201,0.5],"properties":{"magmom":-0.0},"label":"Pb","xyz":[-1.2631757648166042,3.450583614955081,2.131936178284541]}]} | false | -46.716246 | -46.716246 | -0.632439 | 0 | true | -0.009504 | 0 | null | null | 8.74225 | 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-3249993 | ThCr2(MoC2)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.13462077831003,0.01030746860058,-0.47141862526832606],[-5.329916185081117,3.048771806253469,-0.39103784249365303],[-0.067235208512883,-0.08485764652950001,5.868100376551193]],"pbc":[true,true,true],"a":6.152715974090791,"b":6.152717014527629,"c":5.869099029895351,"alpha":93.48487458118493,"beta":95.05160104319376,"gamma":149.09531507140156,"volume":109.56066797792411},"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":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6395986975250231,0.814412257977693,0.454010955508707],"properties":{"magmom":-0.002},"label":"Cr","xyz":[-0.4475791367674874,2.45102347309825,2.0441971080083707]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36040130247497604,0.18558774202230602,0.545989044491292],"properties":{"magmom":-0.002},"label":"Cr","xyz":[1.1850485214835162,0.5231981552262963,2.961446800780838]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8313329664060091,0.372319197299738,0.20365116370017902],"properties":{"magmom":-0.0},"label":"Mo","xyz":[3.1017898452488613,1.1264038516376298,0.6575487305996905]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16866703359399002,0.627680802700261,0.79634883629982],"properties":{"magmom":-0.0},"label":"Mo","xyz":[-2.364320460532832,1.8478177766869164,4.348095178189518]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254768215524158,0.39221110782801805,0.6469793233561061],"properties":{"magmom":0.0},"label":"C","xyz":[-0.5710457326830528,1.1434870402941943,3.523067743675225]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.745231784475841,0.6077888921719811,0.353020676643893],"properties":{"magmom":0.0},"label":"C","xyz":[1.3085151173990812,1.8307345880303523,1.4825761651139842]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.408618627080429,0.736357727732126,0.14497535482058702],"properties":{"magmom":0.0},"label":"C","xyz":[-1.4277520991674872,2.2368962358799633,0.3701557656201435]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.59138137291957,0.263642272267873,0.855024645179412],"properties":{"magmom":0.0},"label":"C","xyz":[2.165221483883516,0.7373253924445827,4.6354881431690655]}]} | false | -21.925747 | -21.925747 | -0.197431 | 0.008127 | false | null | 0 | null | null | 10.065806 | false | true | false | NM | 0.000419 | 0.000004 | 0.000419 | 0 | 0 | [
"Th4+",
"Cr3+",
"C4-",
"Mo3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249994 | NaAcFeH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.471393754839926,2.5167856e-9,2.581561091847753],[1.490463923030185,4.215670934308728,2.581561091847753],[0.0,0.0,5.163122183695506]],"pbc":[true,true,true],"a":5.163121127938377,"b":5.16312132369288,"c":5.163122183695506,"alpha":59.99999449002708,"beta":59.99999323584222,"gamma":60.000004063780196,"volume":97.32446429889674},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Na","xyz":[4.471393258402583,3.1617532026191357,7.7446832755432595]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Ac","xyz":[1.4904644194675276,1.0539177342063786,2.581561091847753]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Fe","xyz":[0.0,0.0,0.0]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7807408734919361,0.7807408734919361,0.219259126508063],"properties":{"magmom":-0.0},"label":"H","xyz":[4.654665971054916,3.2913466095717205,5.163122183695502]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.219259126508063,0.7807408734919361,0.219259126508063],"properties":{"magmom":-0.0},"label":"H","xyz":[2.1440599941346146,3.2913466081585914,3.7136227518992304]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7807408734919361,0.219259126508063,0.219259126508063],"properties":{"magmom":-0.0},"label":"H","xyz":[3.817797683735491,0.924324328666919,3.7136227518992304]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.219259126508063,0.219259126508063,0.7807408734919361],"properties":{"magmom":-0.0},"label":"H","xyz":[1.3071917068151895,0.9243243272537899,5.163122183695502]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7807408734919361,0.219259126508063,0.7807408734919361],"properties":{"magmom":-0.0},"label":"H","xyz":[3.817797683735491,0.924324328666919,6.612621615491773]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.219259126508063,0.7807408734919361,0.7807408734919361],"properties":{"magmom":-0.0},"label":"H","xyz":[2.1440599941346146,3.2913466081585914,6.612621615491773]}]} | false | -12.414858 | -12.414858 | -0.487556 | 0 | true | -0.123887 | 1.9376 | 5.1078 | 3.1702 | 3.251721 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Na+",
"Fe2+",
"Ac3+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249995 | DyH2Br | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.7333720964440262,0.027299489527022002,10.165029026061086],[1.830072603998129,3.254174739714428,10.165029022695135],[0.046283477842589,0.027299487354448003,10.828837217847997]],"pbc":[true,true,true],"a":10.828971676632076,"b":10.828971973587075,"c":10.82897053800503,"alpha":19.922129847056055,"beta":19.92212649238718,"gamma":19.92213164060742,"volume":128.97270016778427},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.883604019602216,0.883604019598884,0.8836040196186231],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.956778367202879,2.923645755927904,27.53212510407975]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11639598039778301,0.11639598040111501,0.11639598038137601],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.6529498110818606,0.38512796066799077,3.6267701625244393]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8141406488132931,0.8141406488149621,0.814140648805022],"properties":{"magmom":0.0},"label":"H","xyz":[4.567107738737626,2.6938071804109605,25.367723208586003]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18585935118670702,0.18585935118503702,0.185859351194977],"properties":{"magmom":0.0},"label":"H","xyz":[1.042620439547117,0.614966536184934,5.791172058018195]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.544534000852245,0.5445340008489691,0.544534000868381],"properties":{"magmom":0.0},"label":"H","xyz":[3.0546877286097196,1.8017397898024965,16.96707790180151]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45546599914775504,0.45546599915103003,0.45546599913161806],"properties":{"magmom":0.0},"label":"H","xyz":[2.5550404496750234,1.5070339267933983,14.191817364802692]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7221294332632261,0.722129433268158,0.722129433239004],"properties":{"magmom":-0.0},"label":"Br","xyz":[4.050949830153417,2.389362888777042,22.50075537976896]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.277870566736773,0.277870566731842,0.27787056676099503],"properties":{"magmom":-0.0},"label":"Br","xyz":[1.5587783481313242,0.9194108278188559,8.658139886835242]}]} | false | -14.292572 | -14.292572 | -1.254845 | 0 | true | -0.081049 | 2.0629 | 4.2455 | 2.1826 | 2.191859 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
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"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249996 | Yb3OsO6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.821917430159048,-0.0008216343489770001,2.753939051550915],[1.623833729444951,4.539321222683608,2.754076341407066],[-0.045261929852259006,-0.031663057827795,5.678775695307459]],"pbc":[true,true,true],"a":5.552933339957521,"b":5.552225647241567,"c":5.679044337662779,"alpha":60.71734964001259,"beta":60.725144224579715,"gamma":60.0101892567461,"volume":125.15074753449832},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8697410740790301,0.8695223279228941,0.390962372816517],"properties":{"magmom":0.002},"label":"Yb","xyz":[5.588083617920322,3.9339474833774877,7.010132400831888]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14610390856246602,0.146036258062807,0.561814429639071],"properties":{"magmom":-0.012},"label":"Yb","xyz":[0.9162107795717214,0.6449966787418537,3.994974391000172]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.365535054241142,0.36554027674598105,0.9032627395478131],"properties":{"magmom":-0.015},"label":"Yb","xyz":[2.315273065474689,1.6304043394663563,7.142813580423913]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6539880297424571,0.6539195966131001,0.038158707511343],"properties":{"magmom":0.8140000000000001},"label":"Os","xyz":[4.213605840313284,2.966605542442927,3.8186824053489454]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.527634580238661,0.31848625438870204,0.253723936873036],"properties":{"magmom":0.04},"label":"O","xyz":[3.0498950664158255,1.4372442152993066,3.771050259775521]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31828056845147,0.9004233163835451,0.25362210989231904],"properties":{"magmom":0.041},"label":"O","xyz":[2.985380946472428,4.0790187076794036,4.796622913160637]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9002316679658051,0.527547853553073,0.253693235407624],"properties":{"magmom":0.04},"label":"O","xyz":[5.186010124016222,2.385936802770978,5.372757187581174]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9966857938851201,0.451270038544194,0.781430413021404],"properties":{"magmom":0.026000000000000002},"label":"O","xyz":[5.503355063063958,2.0228982754856215,8.425212103686697]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7706507707251471,0.9965331627034281,0.781641647590774],"properties":{"magmom":0.025},"label":"O","xyz":[5.298839936610513,4.498201776735114,9.30562125021543]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45114955210870206,0.770717915082279,0.781690407700089],"properties":{"magmom":0.025},"label":"O","xyz":[3.391542818919987,3.473414800084473,7.804098833970788]}]} | false | -22.656494 | -22.656494 | -2.815638 | 0.451816 | false | null | 0 | null | null | 5.775727 | false | true | true | FM | 0.999987 | 0.00799 | 0.999987 | 1 | 1 | [
"Yb2.67+",
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"Os4+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249997 | PrSmAsPt8 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.217654291679313,0.040142609720372,0.0],[-7.577712695496528,5.1986105472630975,0.0],[0.0,0.0,4.281942494756679]],"pbc":[true,true,true],"a":9.217741701199335,"b":9.189520189738111,"c":4.281942494756679,"alpha":90.0,"beta":90.0,"gamma":145.29881711445046,"volume":206.48890073808724},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.376962137203726,0.6271312909864191,0.5],"properties":{"magmom":-0.0},"label":"Pr","xyz":[-1.277514083654384,3.2753435877938473,2.1409712473783395]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635928454796676,0.381819527623847,0.5],"properties":{"magmom":-0.0},"label":"Sm","xyz":[2.9684499686938617,2.0104588512273267,2.1409712473783395]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.226122652383374,0.22709769861504703,0.0],"properties":{"magmom":0.0},"label":"As","xyz":[0.3634393232742307,1.1896696446629207,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10178100665142101,0.8763965979675701,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[-5.70289949393691,4.560130353006661,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.874360020240693,0.10075485193764401,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[7.296057072383678,0.5588843290185866,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49110956527827204,0.9903714151922071,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-2.9778718540868248,5.168269704334995,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.987068519244317,0.49176868450891903,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.371974568743062,2.596137376437055,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19972977856210103,0.7974603290620471,0.5],"properties":{"magmom":0.0},"label":"Pt","xyz":[-4.201885209149204,4.153703352236214,2.1409712473783395]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.792753351041511,0.19834598119396601,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.804317468676709,1.0629466982175761,2.1409712473783395]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9807526557263551,0.9803149908165231,0.5],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.611693574635991,5.135645821989945,2.1409712473783395]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.647028858871543,0.642137632095781,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.0981538508293684,3.3641968939671756,0.0]}]} | false | -45.05898 | -45.05898 | -0.90024 | 0 | true | -0.024282 | 0 | null | null | 8.141387 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249998 | Ac3Nd(Tc2I)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.239632583421655,-1e-16,0.0],[-2.119816291710827,3.671630880179472,0.0],[0.0,0.0,19.402178751936738]],"pbc":[true,true,true],"a":4.239632583421655,"b":4.2396337614103095,"c":19.402178751936738,"alpha":90.0,"beta":90.0,"gamma":119.99999080874635,"volume":302.0214139796597},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.117719767873737],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.0,0.0,2.284019978922745]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8885956079384341],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.0,0.0,17.240690823407395]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6070601978886281],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.0,0.0,11.77829047262125]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.38736641708857805],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,7.515752466849873]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5037499063614911],"properties":{"magmom":-0.0},"label":"Tc","xyz":[-2.1198162700924807e-6,2.447755143996593,9.773845729497044]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.48169760196002104],"properties":{"magmom":-0.0},"label":"Tc","xyz":[2.119818411527096,1.223875736182875,9.345982977607601]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.014180309932506002],"properties":{"magmom":0.0},"label":"Tc","xyz":[2.119818411527096,1.223875736182875,0.27512890806834545]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9919882845212271],"properties":{"magmom":0.0},"label":"Tc","xyz":[-2.1198162700924807e-6,2.447755143996593,19.24673401610793]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25891511969209],"properties":{"magmom":-0.0},"label":"I","xyz":[-2.1198162700924807e-6,2.447755143996593,5.023517433845027]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7487267867432901],"properties":{"magmom":0.0},"label":"I","xyz":[2.119818411527096,1.223875736182875,14.526930952756532]}]} | false | -39.413521 | -39.413521 | -0.582874 | 0 | true | -0.05956 | 0 | null | null | 7.374411 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249999 | Sr3Yb(CdAs2)2 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.809845539540966,-0.023465322206022002,-0.019205138945722],[-7.6882549479414575,4.301705198132997,0.019205137912471002],[-0.017338937784613002,0.00454578551356,7.360222817210913]],"pbc":[true,true,true],"a":8.809897722974881,"b":8.809897876451974,"c":7.36024464416242,"alpha":89.74002854901823,"beta":90.25997078064046,"gamma":150.92494821723886,"volume":277.6036405870684},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7004498508104361,0.299550149189769,0.905517586701684],"properties":{"magmom":-0.0},"label":"Sr","xyz":[3.8521363640709185,1.2762564411606196,6.657111868245062]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29809184210427003,0.701908157895587,0.40005681177571906],"properties":{"magmom":-0.0},"label":"Sr","xyz":[-2.777242342575057,3.014225722769011,2.9522626219403736]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46888855475926705,0.531111445240483,0.7363868869910271],"properties":{"magmom":-0.0},"label":"Sr","xyz":[0.0347473794903147,2.277029700606032,5.421166566634796]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5304869304494411,0.469513069550672,0.23825218197943301],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.0596406981482611,2.008341808445842,1.7524181340995668]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09608417367356001,0.9039158263261481,0.573059555501444],"properties":{"magmom":0.0},"label":"Cd","xyz":[-6.112984839395825,3.8887297685135307,4.233360534222445]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.906157762659582,0.09384223734051,0.07565463094411401],"properties":{"magmom":0.0},"label":"Cd","xyz":[7.260315106988809,0.3827622660271867,0.5412343082740563]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.063231839203943,0.936768160796084,0.955744735194144],"properties":{"magmom":-0.0},"label":"As","xyz":[-6.6616213092481855,4.032561321833309,7.051270592867537]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6714172409311201,0.32858275906905704,0.46824562455849805],"properties":{"magmom":-0.0},"label":"As","xyz":[3.38073528021486,1.3998396849880237,3.4398079457355784]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.325019908847963,0.674980091151951,0.9775290097893851],"properties":{"magmom":-0.0},"label":"As","xyz":[-2.3429931460181175,2.900382307071928,7.2015523555666165]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.940172896560412,0.05982710343973,0.43826897656454306],"properties":{"magmom":-0.0},"label":"As","xyz":[7.815212856600967,0.23728937867347788,3.208850158047044]}]} | false | -19.133023 | -19.133023 | -1.032377 | 0.168778 | false | null | 0 | null | null | 4.24927 | false | true | false | NM | 0.00001 | 0 | 0.00001 | 0 | 0 | [
"As3-",
"Cd2+",
"Sr2+",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250 | Ni2SbTe2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.90426128,-0.0,-0.0],[-1.95213115,3.38118924,0.0],[0.0,0.0,16.27485869]],"pbc":[true,true,true],"a":3.90426128,"b":3.9042613518426377,"c":16.27485869,"alpha":90.0,"beta":90.0,"gamma":120.00000803347713,"volume":214.84516195478452},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[-0.0,-0.0,0.16895855],"properties":{"magmom":0.0},"label":"Ni","xyz":[0.0,0.0,2.7497765257172992]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[-0.0,0.0,0.66895855],"properties":{"magmom":0.0},"label":"Ni","xyz":[0.0,0.0,10.887205870717299]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8310414500000001],"properties":{"magmom":0.0},"label":"Ni","xyz":[0.0,0.0,13.5250821642827]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,-0.0,0.33104145],"properties":{"magmom":0.0},"label":"Ni","xyz":[0.0,0.0,5.3876528192827005]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333,0.666667,0.25],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-2.292130810116192e-6,2.25412728706308,4.0687146725]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666667,0.333333,0.75],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.9521324221308098,1.12706195293692,12.206144017499998]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333,0.666667,0.59466934],"properties":{"magmom":0.0},"label":"Te","xyz":[-2.292130810116192e-6,2.25412728706308,9.678159475775564]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666667,0.333333,0.09466934],"properties":{"magmom":0.0},"label":"Te","xyz":[1.9521324221308098,1.12706195293692,1.5407301307755645]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666667,0.333333,0.40533066],"properties":{"magmom":0.0},"label":"Te","xyz":[1.9521324221308098,1.12706195293692,6.596699214224435]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333,0.666667,0.9053306600000001],"properties":{"magmom":0.0},"label":"Te","xyz":[-2.292130810116192e-6,2.25412728706308,14.734128559224436]}]} | false | -20.37341 | -4.862609 | -0.467431 | 0 | true | -0.017679 | 0 | null | null | 8.082329 | false | true | false | NM | 0.000118 | 0.000001 | 0.000059 | 0 | 0 | [
"Ni3+",
"Sb2-",
"Te2-"
] | false | null | null | null | null | 1.039 | 0.234 | null | true | true | true | false | true |
mp-3250000 | Tm2B4Ir4Rh | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.150875692915187,0.096211533367383,4.209380239609442],[4.295096391058426,4.433265402418919,1.3092105651758161],[-0.021613011677492,0.05051181246666701,5.518591806986737]],"pbc":[true,true,true],"a":7.453952672942203,"b":6.309970478594624,"c":5.518865290765265,"alpha":77.80513024973712,"beta":55.835111330281855,"gamma":46.53378136481569,"volume":149.11011496323297},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.861308799699081,0.8613087997044461,0.138691200299909],"properties":{"magmom":0.0},"label":"Tm","xyz":[8.994210142828816,3.908283886750882,5.518590943783234]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.138691200300918,0.138691200295554,0.8613087997000901],"properties":{"magmom":0.0},"label":"Tm","xyz":[1.4301489294672984,0.6717048615020873,5.518591667988751]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21185139647334203,0.519604026426719,0.481281792963884],"properties":{"magmom":-0.0},"label":"B","xyz":[3.5244190347513524,2.3482355166856737,4.228031922656683]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.788148603526657,0.48039597357328,0.518718207036116],"properties":{"magmom":-0.0},"label":"B","xyz":[6.899940037544758,2.231753231567291,6.809150689115307]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.519604026423316,0.21185139647529602,0.787262784138391],"properties":{"magmom":-0.0},"label":"B","xyz":[4.088926824762929,1.028951436688501,6.80915095825221]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.480395973576683,0.7881486035247031,0.21273721586160801],"properties":{"magmom":-0.0},"label":"B","xyz":[6.335432247533182,3.5510373115644636,4.228031653519775]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7496645158591301,0.7496645158588181,0.7503354841409331],"properties":{"magmom":0.0},"label":"Ir","xyz":[7.8147575954279525,3.433488939421964,8.277886959165158]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25033548414086904,0.250335484141174,0.24966451585906602],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.6096014768681295,1.1464998088309704,2.759295652606817]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Ir","xyz":[-0.010806505838746,0.025255906233333503,2.7592959034933684]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.21217953614806,2.2899943741264845,5.518591305885998]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Rh","xyz":[5.222986041986806,2.2647384678931513,2.7592954023926293]}]} | false | -31.132291 | -31.132291 | -0.841277 | 0 | true | -0.020934 | 0 | null | null | 7.879207 | false | true | false | NM | 0.000015 | 0 | 0.000015 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250001 | Ca4UAlIr4 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.664940451961152,-0.049742991647087,0.9683662526297151],[2.642431424664108,5.011144621246345,0.9683662529054891],[-0.026256212267525003,-0.015681063798492,7.821563431710436]],"pbc":[true,true,true],"a":5.747326151239021,"b":5.74732524300346,"c":7.821623220324181,"alpha":80.49130976859992,"beta":80.49131068971505,"gamma":61.70449929733274,"volume":223.23991749918486},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9821407382132601,0.725210894485329,0.133356371990579],"properties":{"magmom":0.005},"label":"Ca","xyz":[7.4765874213098735,3.5831908848550817,2.6963970252246394]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.274789105515274,0.01785926178632,0.366643628009441],"properties":{"magmom":0.005},"label":"Ca","xyz":[1.5942291212336204,0.07007714933746446,3.151117196095262]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.021442327525598003,0.28020218729199003,0.8443368293462961],"properties":{"magmom":0.008},"label":"Ca","xyz":[0.8397154865273273,1.3898269785023212,6.8961364369788125]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7197978127072481,0.9785576724750411,0.6556631706536821],"properties":{"magmom":0.008},"label":"Ca","xyz":[6.646168059647981,4.857607624408215,6.772941216193114]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.605445207924972,0.39455479207654004,0.24999999999994302],"properties":{"magmom":0.182},"label":"U","xyz":[4.465830978088187,1.9431342022311209,2.9237571106671503]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.419394794975296,0.580605205025783,0.74999999999995],"properties":{"magmom":0.001},"label":"Al","xyz":[3.8903638192805423,2.8768739006004282,6.834538826573312]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48722882076844304,0.7768326337127001,0.99413411325731],"properties":{"magmom":-0.015},"label":"Ir","xyz":[4.786747022859432,3.8529953744220786,8.99975748045306]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22316736628529502,0.5127711792309451,0.505865886742846],"properties":{"magmom":-0.015},"label":"Ir","xyz":[2.6059103963879,2.5505370090527686,4.669320172726351]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.495215543355762,0.22862171727157202,0.009136683744124],"properties":{"magmom":-0.01},"label":"Ir","xyz":[3.4092438793672457,1.1208797132481891,0.7724027271106413]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.771378282728846,0.50478445664379,0.49086331625581103],"properties":{"magmom":-0.01},"label":"Ir","xyz":[5.69078213708656,2.483479992346215,5.075111494205724]}]} | false | -33.051177 | -33.051177 | -0.624705 | 0 | true | -0.047155 | 0 | null | null | 5.834484 | false | true | false | NM | 0.280249 | 0.001255 | 0.280249 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250002 | ErNp(IN)2 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.941434389012286,0.0,0.0],[0.0,3.941434389012285,0.0],[0.0,0.0,9.622143641961685]],"pbc":[true,true,true],"a":3.941434389012286,"b":3.941434389012285,"c":9.622143641961685,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":149.47908778690953},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.885229919097668],"properties":{"magmom":-0.004},"label":"Er","xyz":[0.0,1.9707171945061426,8.517809437719883]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.10075054214455201],"properties":{"magmom":-2.332},"label":"Np","xyz":[1.970717194506143,0.0,0.9694361885203939]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.30826072339937105],"properties":{"magmom":0.031},"label":"I","xyz":[0.0,1.9707171945061426,2.966128959723768]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.692737890230674],"properties":{"magmom":0.016},"label":"I","xyz":[1.970717194506143,0.0,6.665623486029031]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.006510462563859],"properties":{"magmom":0.123},"label":"N","xyz":[0.0,0.0,0.06264460596506545]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.006510462563859],"properties":{"magmom":0.123},"label":"N","xyz":[1.970717194506143,1.9707171945061426,0.06264460596506545]}]} | false | -32.413658 | -32.413658 | -1.692905 | 0 | true | -0.046067 | 0.4197 | 4.9189 | 4.4992 | 4.522939 | true | false | true | FM | 1.999994 | 0.01338 | 1.999994 | 1 | 1 | [
"N3-",
"I-",
"Er3+",
"Np5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250003 | Dy2SiPtBr2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.129274986469076,5.7110596000000014e-9,0.0],[-2.064639483427442,3.576056904803714,0.0],[0.0,0.0,11.006335097238994]],"pbc":[true,true,true],"a":4.129274986469076,"b":4.1292758666528755,"c":11.006335097238994,"alpha":90.0,"beta":90.0,"gamma":120.00002475655621,"volume":162.52529308375935},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.17048600602788602],"properties":{"magmom":0.107},"label":"Dy","xyz":[0.0,0.0,1.8764261117328205]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8277922962919101],"properties":{"magmom":0.093},"label":"Dy","xyz":[0.0,0.0,9.11095940390171]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9888493758067931],"properties":{"magmom":-0.011},"label":"Si","xyz":[2.064638894475037,1.1920177800563223,10.883607590825179]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.012299134387376],"properties":{"magmom":0.029},"label":"Pt","xyz":[-3.391433405367523e-6,2.384039130458448,0.1353683944734355]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.666192401319563],"properties":{"magmom":0.007},"label":"Br","xyz":[-3.391433405367523e-6,2.384039130458448,7.332336808157431]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.33438078616647704],"properties":{"magmom":0.006},"label":"Br","xyz":[2.064638894475037,1.1920177800563223,3.680306982626463]}]} | false | -26.832564 | -26.832564 | -1.708756 | 0 | true | -0.096186 | 0 | null | null | 3.994479 | false | true | true | FM | 0.334836 | 0.00206 | 0.334836 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250004 | SrPrPt4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.778091477588518,-5.4729833e-9,2.758632365403749],[1.5926978155216212,4.5048278765043275,2.758632365403749],[0.0,0.0,5.517264730807498]],"pbc":[true,true,true],"a":5.5172647838994555,"b":5.517264997800171,"c":5.517264730807498,"alpha":60.000001600801575,"beta":60.000000318322186,"gamma":59.999994732460706,"volume":118.75625266162803},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Sr","xyz":[1.5926973232775348,1.1262069677578361,2.758632365403749]},{"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":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248970038928611,0.6248970038929751,0.125308988321499],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.981087141697426,2.8150534396610567,4.139085061685048]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62489700389252,0.125308988321528,0.6248970038929751],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.1853944006343706,0.5644954203473237,5.517264730807494]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12530898832176202,0.62489700389252,0.6248970038928611],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.5940099021910727,2.815053442393243,5.51726473080751]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248970038928611,0.6248970038929751,0.62489700389267],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.981087141697426,2.8150534396610567,6.895444399929977]}]} | false | -42.782262 | -42.782262 | -1.032181 | 0 | true | -0.002166 | 0 | null | null | 7.679225 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250005 | PrGaPRu2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8514325591975163,-0.10528937394286,-4.324958684778021],[-0.6363622771017,3.799955418154905,-4.324958685633329],[0.091621777894255,0.10528937214217701,5.7905449918398455]],"pbc":[true,true,true],"a":5.792226362578455,"b":5.792226321555301,"c":5.792226834697698,"alpha":137.41539831312394,"beta":137.41540045981867,"gamma":61.79953101805532,"volume":87.94933275160948},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001531729082813,0.0015317290828340002,3.268e-13],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.004924616654390536,0.005659227431315459,-0.013249329998386888]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37264469673440404,0.372644696733999,0.9999999999934911],"properties":{"magmom":0.0},"label":"Ga","xyz":[1.2897006681453065,1.4820870797202503,2.5671991565293157]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.643798957097189,0.6437989570974161,3.7232e-12],"properties":{"magmom":-0.0},"label":"P","xyz":[2.0698588946076484,2.3786221460873667,-5.568807782027109]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.741012808542798,0.24101280854287602,0.500000000001222],"properties":{"magmom":0.0},"label":"Ru","xyz":[2.7464002868963466,0.8904618390433381,-1.3519477255683223]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24101280854279802,0.7410128085428761,0.500000000001222],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.5025028687467384,2.843084235092221,-1.3519477259959776]}]} | false | -21.02902 | -21.02902 | -0.889444 | 0 | true | -0.059192 | 0 | null | null | 8.02797 | 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-3250006 | Ac(MgIn)2 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.399977064855388,-0.066905224313131,-5.592055691317359],[-0.5798012536994831,4.362121975910872,-5.592055689637522],[0.059506226870372006,0.066905226538281,7.115288428963087]],"pbc":[true,true,true],"a":7.115852818537543,"b":7.1158530382887655,"c":7.115851792140592,"alpha":141.326015341162,"beta":141.32601259339978,"gamma":55.845367909818684,"volume":139.6263358829239},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.500000999999997],"properties":{"magmom":-0.0},"label":"Mg","xyz":[3.1847856581580833,1.0738042559172367,-2.0344043611274487]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.500000999999997],"properties":{"magmom":-0.0},"label":"Mg","xyz":[0.6948964988806474,3.288317856029238,-2.0344043602875304]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38756197852373403,0.38756197852373403,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[1.4805548956800931,1.6646627024375065,-4.334536334832685]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.612438021476265,0.612438021476265,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[2.3396209154758085,2.6305540491602306,-6.849575046122186]}]} | false | -24.885332 | -24.885332 | -0.458679 | 0 | true | -0.129939 | 0 | null | null | 5.43531 | 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-3250007 | ErLu(CuSi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.089639185949127,-1.2104112200000001e-8,0.0],[-2.044818613994359,3.541730202708214,0.0],[0.0,0.0,7.268198583567408]],"pbc":[true,true,true],"a":4.089639185949127,"b":4.0896376358931095,"c":7.268198583567408,"alpha":90.0,"beta":90.0,"gamma":119.99999687017402,"volume":105.27548537602138},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"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":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Lu","xyz":[0.0,0.0,3.634099291783704]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25727609092498904],"properties":{"magmom":-0.0},"label":"Cu","xyz":[-1.3921657763534346e-6,2.361154645014163,1.869933719646765]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7427239090750101],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.0448219641205427,1.1805755455899358,5.3982648639206365]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.25304716335129],"properties":{"magmom":0.0},"label":"Si","xyz":[2.0448219641205427,1.1805755455899358,1.8391970342455966]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.746952836648709],"properties":{"magmom":0.0},"label":"Si","xyz":[-1.3921657763534346e-6,2.361154645014163,5.4290015493218045]}]} | false | -19.261298 | -19.261298 | -0.720225 | 0 | true | -0.001634 | 0 | null | null | 5.900943 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [
"Cu+",
"Er3+",
"Si4-",
"Lu3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250008 | YHo(CuSi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.108226782388558,-5.8135186999999996e-9,0.0],[-2.054112901269128,3.557829485141913,0.0],[0.0,0.0,7.53094688573041]],"pbc":[true,true,true],"a":4.108226782388558,"b":4.108227167100846,"c":7.53094688573041,"alpha":90.0,"beta":90.0,"gamma":119.99998909352558,"volume":110.0751088891883},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Y","xyz":[0.0,0.0,0.0]},{"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":[0.0,0.0,3.765473442865205]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25415049407823803],"properties":{"magmom":-0.0},"label":"Cu","xyz":[-1.7274964401238207e-6,2.371887507433252,1.9139938718853517]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.745849505921761],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.0541156086158674,1.1859419718951392,5.616953013845051]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.252230927489321],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0541156086158674,1.1859419718951392,1.899537717860595]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.747769072510678],"properties":{"magmom":-0.0},"label":"Si","xyz":[-1.7274964401238207e-6,2.371887507433252,5.6314091678698075]}]} | false | -16.140824 | -16.140824 | -0.734813 | 0 | true | -0.001051 | 0 | null | null | 5.798408 | false | true | false | NM | 0.000024 | 0 | 0.000024 | 0 | 0 | [
"Cu+",
"Y3+",
"Ho3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250009 | LaYbAlRh3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.559281182338815,-0.254310533130201,2.217013844299438],[1.279993572501417,4.383301335410039,2.217013846129068],[-0.359649738512606,-0.254310534426098,5.056960362425378]],"pbc":[true,true,true],"a":5.076107675444361,"b":5.076107222722976,"c":5.0761077499865666,"alpha":68.03874153757454,"beta":68.03874692574028,"gamma":68.03874308041699,"volume":108.25466085942847},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.257190345682182,0.257190345682325,0.257190345682119],"properties":{"magmom":0.0},"label":"La","xyz":[1.40930665215824,0.9965303574978759,2.4409904981789485]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.99183452803502,0.9918345280348431,0.9918345280351061],"properties":{"magmom":0.0},"label":"Yb","xyz":[5.434881291877943,3.843041674752522,9.413489655988387]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625023024711687,0.62502302471168,0.625023024711694],"properties":{"magmom":0.0},"label":"Al","xyz":[3.4248918019909085,2.4217643808046017,5.932086060297239]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6264685007535531,0.626468500753617,0.12301610006394902],"properties":{"magmom":-0.0},"label":"Rh","xyz":[3.613878992932073,2.5553983873794635,3.399866221486172]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6264685007535811,0.12301610006390701,0.6264685007535811],"properties":{"magmom":-0.0},"label":"Rh","xyz":[2.7883966317273936,0.22058155804337798,4.829644112945595]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12301610006395601,0.62646850075361,0.6264685007535391],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.1374314120031286,2.555398386727012,4.829644113866688]}]} | false | -25.172706 | -25.172706 | -0.936883 | 0.080352 | false | null | 0 | null | null | 9.067891 | 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-3250010 | CaNpO4 | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.001927523863116,0.118403994923561,0.0],[0.118403994923561,5.001927523863116,0.0],[0.0,0.0,3.5019358689812092]],"pbc":[true,true,true],"a":5.003328737949692,"b":5.003328737949692,"c":3.5019358689812092,"alpha":90.0,"beta":90.0,"gamma":87.28793252720021,"volume":87.5668149740118},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.003},"label":"Ca","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":1.222},"label":"Np","xyz":[2.5601657593933385,2.5601657593933385,1.7509679344906046]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32383040911091804,0.32383040911091804,0.0],"properties":{"magmom":-0.057},"label":"O","xyz":[1.6581190505122179,1.6581190505122179,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6761685908890761,0.6761685908890761,0.0],"properties":{"magmom":-0.057},"label":"O","xyz":[3.4622073479429103,3.4622073479429103,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7776172294653061,0.22238177053468802,0.5],"properties":{"magmom":-0.047},"label":"O","xyz":[3.9159159131221766,1.2044104853329514,1.7509679344906046]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22238177053468802,0.7776172294653061,0.5],"properties":{"magmom":-0.047},"label":"O","xyz":[1.2044104853329514,3.9159159131221766,1.7509679344906046]}]} | false | -22.272881 | -22.272881 | -3.280774 | 0 | true | -0.231299 | 1.1876 | 4.8524 | 3.6648 | 3.71247 | false | false | true | FM | 1.000051 | 0.01142 | 1.000051 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250011 | Yb2In3Ni2Sn | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.554960260905674,-0.05610212598693601,-0.019609901316046],[-3.861063638640111,3.994109518642817,0.01960990397047],[-0.027669136962753003,0.011901277331656001,7.453657011033463]],"pbc":[true,true,true],"a":5.555278165583711,"b":5.555277474336966,"c":7.4537178682635075,"alpha":89.58414720984344,"beta":90.41585456459536,"gamma":134.60858927884965,"volume":163.75808235997707},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.063719693407378,0.9362803065906241,0.251587896100751],"properties":{"magmom":-0.0},"label":"Yb","xyz":[-3.2680387025921784,3.73902549172882,1.892360715664598]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9375635083696491,0.062436491631686006,0.750391867641582],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.946294068143834,0.20570950119369366,5.5760024509976684]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35536266302073405,0.6446373369810271,0.44724680991055205],"properties":{"magmom":0.0},"label":"In","xyz":[-0.5273352438770134,2.5601383311370793,3.33929696987287]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6475020595527781,0.35249794044474203,0.9510658603384811],"properties":{"magmom":0.0},"label":"In","xyz":[2.2095160575732367,1.3829080356750607,7.083133717138635]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.350506381524397,0.64949361847993,0.049497581355588],"properties":{"magmom":-0.0},"label":"In","xyz":[-0.5620567286376353,2.575073575135907,0.37480110623576446]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21296796386472003,0.7870320361381641,0.7427908060138291],"properties":{"magmom":0.0},"label":"Ni","xyz":[-1.8763045816097104,3.140384350858134,5.5477652408716605]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.783460042510668,0.21653995748755503,0.255463415184557],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.5089463937626424,0.8239708723090942,1.893019429306327]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6489176877496801,0.351082312246283,0.551955763454664],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.2338886784480443,1.3724245219124047,4.1082484246640565]}]} | false | -24.189531 | -24.189531 | -0.501513 | 0.002356 | false | null | 0 | null | null | 7.265565 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250012 | YbCdCu3Ni | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.291891581588325,-0.0053533278142630005,2.469183681704628],[1.425583605091347,4.048217872534029,2.4691836821765722],[-0.007569901934512,-0.005353334644831001,4.951478792905658]],"pbc":[true,true,true],"a":4.951487661321983,"b":4.951487111458157,"c":4.951487473295433,"alpha":60.1751545502156,"beta":60.175151596787025,"gamma":60.175157827641954,"volume":86.1809716671484},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251477473091057,0.251477473091057,0.251477473091057],"properties":{"magmom":-0.0},"label":"Yb","xyz":[1.4359125525969851,1.0153431166864606,2.4870735207680608]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9986760864116061,0.9986760864116061,0.9986760864116061],"properties":{"magmom":0.0},"label":"Cd","xyz":[5.702345863550243,4.032165894120625,9.876752855072763]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624889929014088,0.624889929014088,0.12467977540920501],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.571848849871005,2.5256778858023,3.703285295304131]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624889929014088,0.12467977540920501,0.624889929014088],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.8549709139822235,0.4980404096110314,4.944954513934578]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12467977540920501,0.624889929014088,0.624889929014088],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.4212145607797688,2.5256778823855806,4.944954514170648]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625388807059962,0.625388807059962,0.625388807059962],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.5709108544521486,2.5250143191599874,6.184999089999484]}]} | false | -17.149883 | -17.149883 | -0.290471 | 0.005433 | false | null | 0 | null | null | 5.503801 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250013 | LaSi2TcNi | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9250561752046083,0.105358284958632,-4.377856408717866],[-0.49741284100875005,3.894836688915951,-4.377856412163318],[-0.09027811183852201,-0.10535828082906401,5.8790763983506364]],"pbc":[true,true,true],"a":5.880713654147202,"b":5.880714168640204,"c":5.880713375302343,"alpha":139.0081671551384,"beta":139.008170908493,"gamma":59.36239865111441,"volume":86.64667524055072},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"La","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6341760637647901,0.6341760637635331,0.9999999999985861],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0834512458321814,2.4314696219896694,0.3264129061464909]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36582393623520904,0.36582393623646603,1.413999999999999e-12],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.253913976525152,1.463367071055846,-3.2030493286770305]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":0.0},"label":"Tc","xyz":[0.5630653571253285,2.8947879475120892,-1.4383182121266374]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.774299865232008,1.00004874553343,-1.4383182104039105]}]} | false | -17.782685 | -17.782685 | -0.734948 | 0 | true | -0.014532 | 0 | null | null | 9.518296 | false | true | false | NM | 0.000059 | 0.000001 | 0.000059 | 0 | 0 | [
"Ni+",
"La3+",
"Si4-",
"Tc4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250014 | Sm2BiI2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.468412538965959,1.0038164e-9,0.0],[-2.234206767752584,3.869758278999604,0.0],[1e-16,0.0,11.391037399435387]],"pbc":[true,true,true],"a":4.468412538965959,"b":4.46841235999515,"c":11.391037399435387,"alpha":90.0,"beta":90.0,"gamma":120.00000868944998,"volume":196.9701327865325},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.344324430192308],"properties":{"magmom":-0.0},"label":"Sm","xyz":[-3.3218040745709434e-7,2.579844012678718,3.9222124618598597]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.333333999999999,0.655695123697121],"properties":{"magmom":-0.0},"label":"Sm","xyz":[2.2342016349802383,1.2899220068412605,7.469047676661318]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49999659414323305],"properties":{"magmom":0.0},"label":"Bi","xyz":[4.9999659414323303e-17,0.0,5.695479903475884]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.333333999999999,0.17334129300987602],"properties":{"magmom":-0.0},"label":"I","xyz":[2.2342016349802383,1.2899220068412605,1.9745371515419856]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.826641558957462],"properties":{"magmom":-0.0},"label":"I","xyz":[-3.321804074088626e-7,2.579844012678718,9.416304914012022]}]} | false | -34.822047 | -34.822047 | -1.404949 | 0 | true | -0.045727 | 0 | null | null | 4.247463 | 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-3250015 | YbPrUIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.460909237832618,0.206076193928688,2.912028463777753],[1.681260494900578,4.755322579851707,2.912028465383813],[-4.3599694e-9,-6.344466e-10,5.8240559378654515]],"pbc":[true,true,true],"a":5.331237042163511,"b":5.824056960003605,"c":5.8240559378654515,"alpha":60.00000018623784,"beta":56.89192425714073,"gamma":56.89192556355356,"volume":121.52821460448384},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7420498393389671,0.7526503868869271,0.7526503868872391],"properties":{"magmom":0.035},"label":"Yb","xyz":[4.575618341902502,3.7320141856163795,8.736087559681005]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47677278477537005,0.5077420717413751,0.507742071741986],"properties":{"magmom":0.016},"label":"Pr","xyz":[2.98048680455564,2.5127288590256005,5.824053513837316]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6340501872598161,0.12198327091334701,0.12198327091352401],"properties":{"magmom":1.324},"label":"U","xyz":[3.033525991490336,0.7107324518112899,2.9120283432486502]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.132375729542168,0.12217636391164101,0.122176363910639],"properties":{"magmom":-0.04},"label":"Ir","xyz":[0.7959264083020429,0.6082675084682747,1.4528249195484964]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.132375729541585,0.12217636391152802,0.6232705426356161],"properties":{"magmom":-0.04},"label":"Ir","xyz":[0.7959264061144969,0.6082675081496997,4.371225446579484]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.132375729542069,0.623270542635182,0.122176363911002],"properties":{"magmom":-0.04},"label":"Ir","xyz":[1.6383962552141405,2.991131971184555,2.9120254318313976]}]} | false | -51.299177 | -51.299177 | -0.806939 | 0.025329 | false | null | 0 | null | null | 7.80032 | false | true | true | FM | 1.339595 | 0.011023 | 1.339595 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250016 | Tm2RuWC3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.542662031335326,-0.034982018296012,2.150138778373695],[4.571495793127267,3.134285238328159,2.150138780456303],[0.043705040231522004,0.013392276161552,5.6206369941664525]],"pbc":[true,true,true],"a":5.945201670378948,"b":5.945200965232734,"c":5.620822867142757,"alpha":68.35327678465387,"beta":68.35327736865835,"gamma":32.37401795696347,"volume":98.21636697972173},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6088415331264231,0.608841533126636,0.164570836837967],"properties":{"magmom":0.0},"label":"Tm","xyz":[6.165111931174326,1.8891885022037715,3.543180515480074]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39030265439502904,0.390302654392265,0.820461017484134],"properties":{"magmom":-0.0},"label":"Tm","xyz":[3.9834409276229064,1.22065411407088,6.289923292983553]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.157378096189667,0.15737809619344,0.6814699556794751],"properties":{"magmom":-0.0},"label":"Ru","xyz":[1.6215305748225404,0.49688887413724975,4.507064738608957]},{"species":[{"element":"W","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8418823917593841,0.841882391757195,0.326468701365129],"properties":{"magmom":-0.0},"label":"W","xyz":[8.529199707607946,2.6136209666681487,5.455290016782621]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.754741232552532,0.7547412325508701,0.732602828744774],"properties":{"magmom":-0.0},"label":"C","xyz":[7.665590378762153,2.3489831517351694,7.36329134633964]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.246177911431146,0.24617791143560203,0.267781580067875],"properties":{"magmom":0.0},"label":"C","xyz":[2.501585653861682,0.7665661984845518,2.5637364033024213]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000677180545814,0.0006771805439810001,0.006646079820633001],"properties":{"magmom":0.0},"label":"C","xyz":[0.007139578093581638,0.002187793976788948,0.04026726640653198]}]} | false | -25.733446 | -25.733446 | -0.465428 | 0 | true | -0.007252 | 0 | null | null | 6.735836 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Tm3+",
"W3+",
"C4-",
"Ru3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250017 | GdErCSe | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.622819823834988,0.0007310911573270001,5.895338709086106],[1.6671905019079791,3.216410274608565,5.8953387089297244],[0.0012015748108210001,0.000731088219804,6.919525305235597]],"pbc":[true,true,true],"a":6.919526176358833,"b":6.919525830377752,"c":6.919525448184131,"alpha":31.561714860828445,"beta":31.561722060317894,"gamma":31.561723143848894,"volume":80.58995331705677},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9837311018711,0.983731101871072,0.9837311018710151],"properties":{"magmom":6.9350000000000005},"label":"Gd","xyz":[5.205129713165208,3.165521214839919,18.405808341175028]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5152990407100471,0.515299040710061,0.51529904071009],"properties":{"magmom":-0.017},"label":"Er","xyz":[2.7265564165489753,1.6581665886661592,9.64134951478235]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248716429744703,0.24871642974462502,0.24871642974447603],"properties":{"magmom":-0.069},"label":"C","xyz":[1.3160113329282925,0.8003377481288974,4.653534821124684]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.752253427674141,0.7522534276742331,0.7522534276744041],"properties":{"magmom":-0.021},"label":"Se","xyz":[3.9803322887419474,2.4206555833292356,14.074814131046297]}]} | false | -26.762109 | -26.762109 | -1.3668 | 0 | true | -0.122651 | 0 | null | null | 3.906768 | false | true | true | FM | 7 | 0.086859 | 7 | 1 | 1 | [
"Er3+",
"Se2-",
"C4-",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250018 | Li2PrYPb2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.766711377117664,-6.821755e-9,0.0],[-2.383355200376558,4.128093029939857,0.0],[0.0,0.0,7.636718147365067]],"pbc":[true,true,true],"a":4.766711377117664,"b":4.766711033301684,"c":7.636718147365067,"alpha":90.0,"beta":90.0,"gamma":119.99999569227508,"volume":150.2709714656029},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.28143298100103203],"properties":{"magmom":0.0},"label":"Li","xyz":[2.383358234641756,1.3760296294011158,2.1492243532776296]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.718567018998967],"properties":{"magmom":0.0},"label":"Li","xyz":[-2.0579006524719757e-6,2.752063393716982,5.48749379408743]},{"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":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Y","xyz":[0.0,0.0,3.8183590736825335]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7394951225949661],"properties":{"magmom":-0.0},"label":"Pb","xyz":[2.383358234641756,1.3760296294011158,5.647315822608933]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.26050487740503303],"properties":{"magmom":-0.0},"label":"Pb","xyz":[-2.0579006524719757e-6,2.752063393716982,1.9894023247561277]}]} | false | -28.534541 | -28.534541 | -0.691001 | 0 | true | -0.088828 | 0 | null | null | 4.746316 | false | true | false | NM | 0.000016 | 0 | 0.000016 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250019 | TbUO4 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.61781219116451,-0.027521547111978004,5.313844097272363],[1.6168995271774271,3.236503899974448,5.313844096733095],[-0.044895445415021,-0.027521546687467,6.42833487313727]],"pbc":[true,true,true],"a":6.4285505035124615,"b":6.428550432245325,"c":6.428550558076356,"alpha":34.64793417211549,"beta":34.647937122793515,"gamma":34.64793343378011,"volume":76.62715185080266},"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":-0.003},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":1.078},"label":"U","xyz":[2.594908136463458,1.5907304030875016,8.528011533571364]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.618379985287269,0.618379985287255,0.618379985287361],"properties":{"magmom":-0.032},"label":"O","xyz":[3.2092785104961488,1.9673516865144736,10.547103293319559]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.130889782869985,0.13088978287001402,0.130889782869751],"properties":{"magmom":-0.016},"label":"O","xyz":[0.6792939250985763,0.41642071412971393,2.232459155882417]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.869110217130014,0.869110217129986,0.869110217130248],"properties":{"magmom":-0.016},"label":"O","xyz":[4.510522347828336,2.7650400920452896,14.823563911260301]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38162001471273005,0.38162001471274404,0.381620014712638],"properties":{"magmom":-0.032},"label":"O","xyz":[1.9805377624307623,1.2141091196605265,6.508919773823154]}]} | false | -26.350491 | -26.350491 | -3.840724 | 0 | true | -0.033092 | 0.4573 | 7.313 | 6.8557 | 6.857174 | false | false | true | FM | 0.999972 | 0.01305 | 0.999972 | 1 | 1 | [
"U5+",
"O2-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250020 | AcGaSiRu2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.030913149868916,-0.066581322810026,-4.304884906054142],[-0.677360416692321,3.9741512368296092,-4.3048849093433],[0.057140801074716,0.06658132475969,5.897206153228133]],"pbc":[true,true,true],"a":5.897857911878351,"b":5.897858023892028,"c":5.897858811265828,"alpha":136.33022632584007,"beta":136.33023410720008,"gamma":63.47021825341577,"volume":96.54755426022653},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9982183731251901,0.9982183731252121,0.9999999999994741],"properties":{"magmom":0.0},"label":"Ac","xyz":[3.4047187545757476,3.9671894072053098,-2.6972242648834666]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6396536163684341,0.639653616367539,1.92273e-11],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.1451121334603602,2.499491226712841,-5.507270398401518]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.348306132784827,0.34830613278535305,0.999999999988574],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.2252037846564336,1.4276118900995198,2.89837052458987]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256910438860778,0.7569104388609481,0.499999999996369],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.5514528966140355,3.0242617822850275,-1.4157791198437653]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.756910438860778,0.256910438860948,0.499999999996369],"properties":{"magmom":-0.0},"label":"Ru","xyz":[2.905589679894654,1.0038955024652096,-1.4157791181991857]}]} | false | -28.634027 | -28.634027 | -0.693409 | 0 | true | -0.193512 | 0 | null | null | 8.619521 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250021 | Ce2SiPtI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.337009729904309,5.2458133e-9,0.0],[-2.168504355861981,3.7559611120171112,1e-16],[-1e-16,1e-16,11.849611153867922]],"pbc":[true,true,true],"a":4.337009729904309,"b":4.337009916564314,"c":11.849611153867922,"alpha":90.0,"beta":90.0,"gamma":119.99999074100363,"volume":193.02589864366365},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8420151875739351],"properties":{"magmom":0.99},"label":"Ce","xyz":[-8.420151875739352e-17,8.420151875739352e-17,9.977552558402293]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.159688555144988],"properties":{"magmom":0.962},"label":"Ce","xyz":[-1.59688555144988e-17,1.59688555144988e-17,1.8922472841911027]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.008397056715011],"properties":{"magmom":-0.022},"label":"Si","xyz":[2.1685072031535504,1.2519857888492218,0.09950185690985591]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.992608496293748],"properties":{"magmom":-0.04},"label":"Pt","xyz":[-1.8291112248183993e-6,2.5039753284136994,11.762024709106463]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.338927184480226],"properties":{"magmom":-0.011},"label":"I","xyz":[-1.8291112247530312e-6,2.5039753284136994,4.016155345565937]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6583635197920891],"properties":{"magmom":-0.012},"label":"I","xyz":[2.1685072031535504,1.2519857888492218,7.801351707428084]}]} | false | -30.014979 | -30.014979 | -1.504962 | 0 | true | -0.10885 | 0.0799 | 5.8538 | 5.7739 | 5.843794 | false | false | true | FM | 1.999409 | 0.010358 | 1.999409 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250022 | HoCu2AgPt2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.353825011414531,0.024353854093327004,2.724530106586241],[1.474235396653374,4.096707090441514,2.724530106586238],[8.1625665e-9,5.7718060000000005e-9,5.449061191673434]],"pbc":[true,true,true],"a":5.136092838133163,"b":5.13609221989971,"c":5.449061191673434,"alpha":57.96295114466976,"beta":57.96295546041871,"gamma":58.09619539306084,"volume":96.99570018227905},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254668407601272,0.254668407601293,0.24533159239872002],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.4842228655292395,1.0495040297885743,2.724530346643451]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.619103981744139,0.120569198465013,0.6301644098953431],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.873217785650964,0.5090142619176502,5.449066278848729]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.120569198465339,0.619103981744061,0.630164409895215],"properties":{"magmom":0.0},"label":"Cu","xyz":[1.4376422011244934,2.539224000036229,5.449066278848705]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.009307922591091,0.009307922591773,0.990692077408816],"properties":{"magmom":-0.0},"label":"Ag","xyz":[0.05424714322209368,0.0383585219857751,5.449061182566974]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6231757447990981,0.6231757447989561,0.626955372711897],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.6319058906492083,2.5681452270910574,6.812040347154056]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623175744799048,0.623175744798899,0.126694137690002],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.63190588656549,2.5681452242034117,4.086086265697333]}]} | false | -30.485728 | -30.485728 | -0.66802 | 0 | true | -0.033427 | 0 | null | null | 7.556999 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250023 | Ac2InNi2 | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.838853175910804,-0.022561580675293003,0.0],[-6.7385928119801894,4.004934718211238,0.0],[0.0,0.0,4.083589031411936]],"pbc":[true,true,true],"a":7.8388856439170915,"b":7.83888609324085,"c":4.083589031411936,"alpha":90.0,"beta":90.0,"gamma":149.44070330866023,"volume":127.57974141522436},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36447584046297204,0.6355241595309661,0.5],"properties":{"magmom":0.0},"label":"Ac","xyz":[-1.4254659336991913,2.537009619688783,2.041794515705968]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635524159537027,0.36447584046903303,0.5],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.525726297629805,1.4453635178471584,2.041794515705968]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.207060811594196,0.792939188389112,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-3.7201750146444437,3.170998065804322,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.792939188405803,0.20706081161088702,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[4.820435378575057,0.811375071731619,0.0]}]} | false | -37.124838 | -37.124838 | -0.361441 | 0 | true | -0.181258 | 0 | null | null | 7.162027 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250024 | YbYURu3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.776755669122332,-0.029274422323781003,1.8821815952171181],[1.271036740898916,4.604641361907016,1.88218158575099],[-0.038696005462912006,-0.02927443098435,5.134055094803974]],"pbc":[true,true,true],"a":5.134282741695162,"b":5.134283201211241,"c":5.134284379505179,"alpha":68.9246636152241,"beta":68.9246663498508,"gamma":68.92465745178399,"volume":113.64650686587895},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12824076133574602,0.128240761335462,0.128240761335014],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.7706110978601224,0.5829943644041662,1.1411399343646353]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.877982018015778,0.8779820180155151,0.8779820180151031],"properties":{"magmom":-0.0},"label":"Y","xyz":[5.275878587725176,3.9913874747848697,7.812651234906892]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49768524644001305,0.49768524644126405,0.49768524644319],"properties":{"magmom":0.001},"label":"U","xyz":[2.990638624985879,2.2625231704868005,4.428611492522609]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.498316461735242,0.999459050737819,0.49831646173470207],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.631402301596976,4.572974627140537,5.377469663076412]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9994590507382811,0.498316461735242,0.49831646173493005],"properties":{"magmom":0.0},"label":"Ru","xyz":[5.388267361604397,2.250722073811188,5.377469667822332]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49831646173493005,0.49831646173470207,0.9994590507370511],"properties":{"magmom":0.0},"label":"Ru","xyz":[2.9750394421815862,2.2507220694685577,7.007121972509345]}]} | false | -36.070666 | -36.070666 | -0.560895 | 0 | true | -0.091834 | 0 | null | null | 8.531292 | false | true | false | NM | 0.000996 | 0.000009 | 0.000996 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250025 | HoLu(FeOs)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.521369882111007,1.1384232e-9,2.573066241055256],[1.484536665020883,4.276152889594427,2.6503743723429523],[0.007770545951383,0.014204615674022002,5.245335590997449]],"pbc":[true,true,true],"a":5.202254846863879,"b":5.245361470723481,"c":5.245360580043606,"alpha":59.47567235781416,"beta":60.271470805964185,"gamma":60.27147938420767,"volume":101.21222213879977},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252032189168225,0.24796781083156802,0.24796781083198002],"properties":{"magmom":-0.47700000000000004},"label":"Ho","xyz":[1.5095749016206756,1.06387055855313,2.6063774321806927]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9976632000074731,0.0023367999925270003,0.0023367999925190002],"properties":{"magmom":-0.404},"label":"Lu","xyz":[4.514291568483727,0.01002570852201229,2.585504194865674]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124407248509278,0.6250227772456111,0.6250227772458601],"properties":{"magmom":2.783},"label":"Fe","xyz":[1.4952171840316888,2.681571163461069,5.255106660895961]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625546196999302,0.625022777245668,0.6250227772457461],"properties":{"magmom":2.783},"label":"Fe","xyz":[3.7610517324873465,2.6815711640318196,6.544570371333124]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625174582657827,0.624808141052376,0.12484069363194501],"properties":{"magmom":0.30000000000000004},"label":"Os","xyz":[3.7551662034326787,2.6735484525884736,3.9194224315915713]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625174582657912,0.124840693632251,0.624808141051964],"properties":{"magmom":0.30000000000000004},"label":"Os","xyz":[3.01683121644536,0.5427130530398793,5.21681856823614]}]} | false | -34.627667 | -34.627667 | -0.334591 | 0 | true | -0.049304 | 0 | null | null | 6.252248 | false | true | true | FiM | 5.01027 | 0.049503 | 5.01027 | 6 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250026 | TbNiHgPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.589178501758849,-0.002027759520311,2.350128268870274],[1.4359817687592311,4.358729015898482,2.350128270491384],[-0.002804053411212,-0.002027759747483,5.1559342470786]],"pbc":[true,true,true],"a":5.155935057092695,"b":5.155934945478566,"c":5.155935408315652,"alpha":62.91407193607664,"beta":62.91407056925524,"gamma":62.91407167870624,"volume":103.19285456943956},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249105877414514,0.24910587741426501,0.24910587741504703],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.5002043295648007,1.0847747622308308,2.455235053823212]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626547538294232,0.6265475382944671,0.626547538293728],"properties":{"magmom":0.002},"label":"Ni","xyz":[3.7732924625596107,2.728409959390119,6.175372074200388]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.997928175264107,0.997928175263993,0.9979281752643551],"properties":{"magmom":-0.0},"label":"Hg","xyz":[6.009878950527744,4.345651376363134,9.835770486568242]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62609687225548,0.6260968722554591,0.12422366451663401],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.771985670419081,2.72746513422321,3.5833049642715675]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6260968722554161,0.12422366451627201,0.6260968722550401],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.0498976145964454,0.5389181430593768,4.991463810030998]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124223664516257,0.626096872255544,0.6260968722551961],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.4673926555734524,2.72746513410957,4.99146381084566]}]} | false | -41.929078 | -41.929078 | -0.755893 | 0 | true | -0.0268 | 0 | null | null | 7.379159 | false | true | false | NM | 0.003069 | 0.00003 | 0.003069 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250027 | LiPrPt3Rh | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.624823760963673,-0.0038542609630180004,2.663850646061408],[1.537973816291156,4.361611344965141,2.663850647812729],[-0.005450175332686,-0.0038542684265830004,5.337139479044655]],"pbc":[true,true,true],"a":5.337144361905861,"b":5.3371450474929105,"c":5.337143653544779,"alpha":60.117002832539555,"beta":60.1169944426323,"gamma":60.11701202924534,"volume":107.78580022476473},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7503377700125641,0.7503377700127271,0.7503377700124001],"properties":{"magmom":-0.0},"label":"Li","xyz":[4.620090318751167,3.2668977294910864,8.002232843090516]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49910676037358503,0.49910676037390506,0.49910676037327306],"properties":{"magmom":-0.0},"label":"Pr","xyz":[3.0731737142685653,2.1730623292647353,5.322894128070806]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.627284715740771,0.12421987821750201,0.124219878215804],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.0914511582925743,0.5389023343565063,2.6648748144590972]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12421987821762301,0.6272847157393281,0.124219878216742],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.5385654924155179,2.735014580109877,2.66487481534161]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124219878215683,0.12421987821649301,0.6272847157422841],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.7621231528314373,0.538902330597443,4.009712426886188]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124831997439763,0.12483199744003301,0.124831997439486],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.768633975112893,0.5435063851280814,1.3313133760597196]}]} | false | -35.908172 | -35.908172 | -0.843165 | 0 | true | -0.029334 | 0 | null | null | 7.370854 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250028 | HoErV2C3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.455245034854801,-0.008995280399639,1.5806720504716911],[4.412673024677557,3.207506282870772,1.580672049929253],[-0.004885675374763,-0.0015833374802700002,5.514391433534185]],"pbc":[true,true,true],"a":5.679639375569527,"b":5.67963941697006,"c":5.5143938251648885,"alpha":73.89166726640228,"beta":73.89166877939786,"gamma":34.634700093273395,"volume":96.73568065415287},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39121421102964105,0.39121421102972603,0.8145249372532951],"properties":{"magmom":0.015},"label":"Ho","xyz":[3.8564902737374043,1.2500132904398755,5.72837207442124]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6094462963386741,0.6094462963385681,0.18608464868802302],"properties":{"magmom":0.015},"label":"Er","xyz":[6.013056964769327,1.949026049455421,2.9528130460787576]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.847130779348333,0.8471307793480201,0.37560073577047604],"properties":{"magmom":-0.169},"label":"V","xyz":[8.357582053050258,2.708962415554023,4.749281371322262]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15279185940488502,0.152791859405205,0.6242084946134621],"properties":{"magmom":-0.167},"label":"V","xyz":[1.504687868701555,0.48771811069054916,3.925157618755174]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.278305830828735,0.27830583082840804,0.26874134336322403],"properties":{"magmom":0.01},"label":"C","xyz":[2.744986151143138,0.889738753715085,2.3617654580757192]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.720856434657548,0.7208564346578681,0.732144190888739],"properties":{"magmom":0.01},"label":"C","xyz":[7.109775211044537,2.3045080061169116,6.3162048912898845]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000255588392192,0.00025558839222100004,0.49869564942277106],"properties":{"magmom":0.01},"label":"C","xyz":[0.00008566025735996899,0.000027898771644375143,2.750811019973529]}]} | false | -18.418716 | -18.418716 | -0.586197 | 0.000002 | false | null | 0 | null | null | 4.989045 | false | true | true | FM | 0.297259 | 0.003073 | 0.297259 | 2 | 2 | [
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mp-3250029 | Pa2MnFe3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.426288404521294,0.010924069517002,2.643051267634957],[1.505431624305428,4.162429940213652,2.643051263879025],[0.015526998998191,0.010924076156269,5.155337960717138]],"pbc":[true,true,true],"a":5.155372768155687,"b":5.155372669956889,"c":5.1553729169041596,"alpha":58.98477364002534,"beta":58.98477230054057,"gamma":58.98477978951015,"volume":94.64305380565949},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12448296216945201,0.12448296216939501,0.12448296216958],"properties":{"magmom":-1.363999999999999},"label":"Pa","xyz":[0.7403309267770308,0.5208713306716931,1.2997814417895002]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875517037830547,0.8755170378306041,0.87551703783042],"properties":{"magmom":-1.363999999999999},"label":"Pa","xyz":[5.206916101047876,3.6634067552152265,9.141659050441616]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":2.8200000000000003},"label":"Mn","xyz":[2.973623513912457,2.0921390429434616,5.22072024611556]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":2.275},"label":"Fe","xyz":[2.2209077017597427,0.0109240728366355,3.8991946141760474]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":2.275},"label":"Fe","xyz":[0.7604793116518095,2.0866770081849606,3.8991946122980816]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":2.275},"label":"Fe","xyz":[2.9658600144133613,2.086677004865327,2.6430512657569913]}]} | false | -35.327012 | -35.327012 | -0.054422 | 0 | true | -0.017076 | 0 | null | null | 11.754723 | false | true | true | FiM | 6.08009 | 0.064242 | 6.08009 | 6 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250030 | Y2PaCoOs2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.483551350822021,-0.005485991477217,-2.888192437402905],[-1.685433465363833,4.63938966929364,-2.805123321604408],[-0.22202763195229103,0.035920094613243005,5.672985053230338]],"pbc":[true,true,true],"a":5.333284013347853,"b":5.677441265141,"c":5.6774418479384,"alpha":118.48410475969973,"beta":125.02954063307014,"gamma":89.01682769884847,"volume":115.59913092593166},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12637346885151102,0.87456886085215,0.251805607999365],"properties":{"magmom":-0.0},"label":"Y","xyz":[-0.9633334917244881,4.065817335613787,-1.3897749544506968]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8736265311484881,0.125431139147849,0.7481943920006411],"properties":{"magmom":-0.0},"label":"Y","xyz":[3.5394237452303816,0.6040064368158733,1.3694442486737617]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":-0.0},"label":"Pa","xyz":[-0.9537305486580621,2.3376548819534415,1.433930865812965]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.001},"label":"Co","xyz":[1.3990589427290938,2.3169518389082113,-2.8466578795036566]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.001},"label":"Os","xyz":[2.2417756754110103,-0.0027429957386085,-1.4440962187014525]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.001},"label":"Os","xyz":[1.2880451267529482,2.334911886214833,-0.010165352888487522]}]} | false | -39.809478 | -39.809478 | -0.361493 | 0 | true | -0.034619 | 0 | null | null | 7.319057 | false | true | false | NM | 0.002306 | 0.00002 | 0.002306 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250031 | Er2BeCoC2 | 47 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.477475334422736,0.0,0.0],[0.0,3.589111170504922,0.0],[0.0,0.0,6.8153879411694245]],"pbc":[true,true,true],"a":3.477475334422736,"b":3.589111170504922,"c":6.8153879411694245,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":85.0631674568697},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.746632457241275],"properties":{"magmom":0.0},"label":"Er","xyz":[0.0,0.0,5.088589845567882]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25336754275872403],"properties":{"magmom":0.0},"label":"Er","xyz":[0.0,0.0,1.7267980956015363]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Be","xyz":[1.738737667211368,1.794555585252461,0.0]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Co","xyz":[1.738737667211368,1.794555585252461,3.4076939705847122]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"C","xyz":[1.738737667211368,0.0,3.4076939705847122]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":-0.0},"label":"C","xyz":[0.0,1.794555585252461,0.0]}]} | false | -17.954825 | -17.954825 | -0.401902 | 0 | true | -0.008835 | 0 | null | null | 4.912847 | false | true | false | NM | 0.00003 | 0 | 0.00003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250032 | DyAlCdPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.638537846530021,-0.0013450995986550001,2.216847823759224],[1.396984004372575,4.423172916993763,2.21684782532937],[-0.0018358340241360002,-0.001345090829327,5.141053618622447]],"pbc":[true,true,true],"a":5.141055284344869,"b":5.141054098408954,"c":5.141054122367013,"alpha":64.47640575963823,"beta":64.47641107187452,"gamma":64.47639149974694,"volume":105.51661281090028},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24665425793532503,0.24665425793617102,0.246654257936704],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.4882343471090829,1.090330886640745,2.3616526755530285]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6271185892062611,0.627118589206482,0.627118589206617],"properties":{"magmom":-0.0},"label":"Al","xyz":[3.7838366626186724,2.7721668910955555,6.004503252772949]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.996458169456452,0.9964581694540581,0.996458169452566],"properties":{"magmom":-0.0},"label":"Cd","xyz":[6.012315723450365,4.40482612581702,9.540837128282563]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6272512401447441,0.6272512401464561,0.125268503110746],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.785558593721583,2.773428484660443,3.42505318553589]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.627251240146904,0.12526850310895501,0.62725124014706],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.0833751826308675,0.5523968250216955,4.892954013312751]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12526850311030502,0.62725124014787,0.6272512401463071],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.4561711126964063,2.773428489068747,4.892954014102201]}]} | false | -36.62176 | -36.62176 | -1.074753 | 0 | true | -0.06117 | 0 | null | null | 7.670059 | 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-3250033 | UCI | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.156124010864686,0.049479476487687,-0.23750154488712402],[2.355616127112961,3.424453060618201,-0.23750154594869802],[0.092822596787172,0.049520202959328005,10.809454954034308]],"pbc":[true,true,true],"a":4.16319852950868,"b":4.163197459527959,"c":10.809966914300539,"alpha":92.77526177301662,"beta":92.77526303241437,"gamma":54.69787015052117,"volume":152.6807310836386},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8540051763788481,0.854005176393116,0.380539014634216],"properties":{"magmom":1.980999999999999},"label":"U","xyz":[5.596382404617614,2.985600738366822,3.7077642385680276]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145793150381848,0.145793150371986,0.619483701339937],"properties":{"magmom":1.976999999999999},"label":"U","xyz":[1.0068691949861617,0.537152527385251,6.627028967340765]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.581129819998153,0.581129820011916,0.46786416819476506],"properties":{"magmom":-0.073},"label":"C","xyz":[3.827594741325627,2.0419745185876046,4.781318190028788]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41847846853805404,0.41847846853173104,0.5321331497516291],"properties":{"magmom":-0.073},"label":"C","xyz":[2.7744170212402515,1.480117309488023,5.553290745786312]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16952745115241102,0.169527451149655,0.17636401446659902],"properties":{"magmom":-0.025},"label":"I","xyz":[1.1202892739543078,0.5976605102726597,1.8258728066110976]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831061933550685,0.8310619335415971,0.8236159516128511],"properties":{"magmom":-0.026000000000000002},"label":"I","xyz":[5.488109521209942,2.9278387203651435,8.508082541272803]}]} | false | -38.925853 | -38.925853 | -0.776534 | 0 | true | -0.04493 | 0 | null | null | 6.854897 | false | true | true | FM | 4.000188 | 0.0262 | 2.000094 | 2 | 2 | [
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"I-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250034 | Er2UTc2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.99007256845432,0.024180460621445,-3.117645284066432],[-0.711683090923762,3.806359765179475,-4.430154144003194],[-0.11176851963617301,-0.024180468886897,5.8828616007216175]],"pbc":[true,true,true],"a":5.883971537182843,"b":5.883972571614574,"c":5.883972935891375,"alpha":138.86290414130139,"beta":123.08484278925225,"gamma":72.6013715644632,"volume":109.93780357900003},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6999549200566471,0.19995592005616203,0.500000000000802],"properties":{"magmom":0.0},"label":"Er","xyz":[3.2946363386770607,0.7659391668489673,-0.1266159030629528]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.300044079943354,0.8000440799438381,0.49999999999919703],"properties":{"magmom":0.0},"label":"Er","xyz":[0.8719796291447611,3.0404205658845953,-1.538318806639781]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7513968122585121,0.49999999999571504,0.25139681225154203],"properties":{"magmom":0.0},"label":"Tc","xyz":[3.3655848258697825,1.91527011080641,-3.0787331468444963]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248602187741489,0.500000000004284,0.7486021877484531],"properties":{"magmom":0.0},"label":"Tc","xyz":[0.80103125372056,1.8910896461076177,1.4137925542801426]}]} | false | -40.289737 | -40.289737 | -0.345291 | 0 | true | -0.195721 | 0 | null | null | 7.606586 | false | true | false | NM | 0.000019 | 0 | 0.000019 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250035 | LiDy(NiPt)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2588641615779395,4.912908e-10,2.395854772447689],[1.524265634458412,4.272561974178596,2.273669263976549],[-0.051061398140985,-0.004814969441692,5.073965787886174]],"pbc":[true,true,true],"a":4.8865165545031495,"b":5.0742234351218185,"c":5.074224991754918,"alpha":63.62543552147349,"beta":61.21634179131475,"gamma":61.216331995384316,"volume":92.87893363558355},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.239200203280361,0.260799796720562,0.26079979671881404],"properties":{"magmom":0.002},"label":"Li","xyz":[1.4029325385524323,1.1130275514076975,2.4893506764935154]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999566538869681,0.000043346113066900015,0.0000433461130029],"properties":{"magmom":-0.024},"label":"Dy","xyz":[4.258743414048006,0.00018499073547806233,2.3960694128753217]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12793468290610102,0.621288853062225,0.62128885306317],"properties":{"magmom":0.375},"label":"Ni","xyz":[1.4601418063596485,2.651503641795586,4.871516674698553]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.629488610968522,0.6212888530621391,0.621288853063063],"properties":{"magmom":0.375},"label":"Ni","xyz":[3.596191855683208,2.6515036420416283,6.07316704688605]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626710924479816,0.62113840003078,0.125439751009594],"properties":{"magmom":0.084},"label":"Pt","xyz":[3.60945148427686,2.6532483204136565,3.5502486532492656]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6267109244782101,0.125439751011221,0.621138400032343],"properties":{"magmom":0.084},"label":"Pt","xyz":[2.828564002446346,0.5329583481136541,4.938351857017772]}]} | false | -27.612021 | -27.612021 | -0.727458 | 0 | true | -0.006987 | 0 | null | null | 6.712504 | false | true | true | FM | 0.869736 | 0.009364 | 0.869736 | 2 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250036 | PmAlGaPt2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.005447490431858,0.099997161279053,-4.5432730338896175],[-0.497945923938345,3.975632032101447,-4.5432729961442995],[-0.08605807859353201,-0.09999716261583601,6.056197447810065]],"pbc":[true,true,true],"a":6.057634760477005,"b":6.057634003085024,"c":6.057634270264554,"alpha":139.41979707004953,"beta":139.41979140058774,"gamma":58.73532425570191,"volume":93.18029500685167},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9978461183046071,0.997846118305147,0.999999999999694],"properties":{"magmom":-0.0},"label":"Pm","xyz":[3.413888744479106,3.96685360765001,-3.0107772370597234]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6250825594784141,0.625082559493435,0.9999999999915511],"properties":{"magmom":0.0},"label":"Al","xyz":[2.106419977958027,2.447607565127954,0.3763559984186286]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.382092716927097,0.382092716911934,8.533599999999999e-12],"properties":{"magmom":0.0},"label":"Ga","xyz":[1.3401908031743712,1.5572682316250124,-3.4719030599782155]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7474888026449371,0.24748880264474502,0.500000000000113],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.8277620688859693,1.0086725884253243,-1.4923561901894196]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24748880264493703,0.747488802644745,0.500000000000113],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.5760653617008679,2.9464900238365215,-1.4923561713167606]}]} | false | -31.195698 | -31.195698 | -1.057514 | 0 | true | -0.158328 | 0 | null | null | 7.352851 | 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-3250037 | YbSmURu3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.8007537847298964,-0.013831849166734002,1.851555677990265],[1.265579903517117,4.63095346906743,1.851554699303029],[-0.018173841728907,-0.013831849928448001,5.145402561255239]],"pbc":[true,true,true],"a":5.145453007301474,"b":5.145452101551932,"c":5.145453247865304,"alpha":69.11145022927808,"beta":69.11144639133873,"gamma":69.11144853852892,"volume":114.72984213947632},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.628377746769146,0.628377746769601,0.6283777467690681],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.800529056455249,2.89260485338273,5.560208622583204]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.379648766483114,0.379648766483732,0.37964876648300805],"properties":{"magmom":-0.0},"label":"Sm","xyz":[2.2961764252240835,1.747633282937165,3.359327022330424]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.997780866858285,0.9977808668567001,0.997780866858562],"properties":{"magmom":-0.003},"label":"U","xyz":[6.034738174554297,4.593074457075441,8.828876910230198]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9976328255313971,0.498926968826907,0.9976328255314041],"properties":{"magmom":-0.0},"label":"Ru","xyz":[5.40269068693591,2.2829093628072856,7.904185792084193]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49892696882665105,0.9976328255315031,0.9976328255313831],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.639678767905259,4.599291004146187,7.904185304006751]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9976328255314041,0.9976328255315321,0.49892696882658005],"properties":{"magmom":-0.0},"label":"Ru","xyz":[6.042906198256635,4.599291004526194,6.261524572233608]}]} | false | -37.608373 | -37.608373 | -0.528715 | 0 | true | -0.166708 | 0 | null | null | 8.435108 | false | true | false | NM | 0.003421 | 0.00003 | 0.003421 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250038 | PrLu(CuGe)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.228684690865945,8.2691619423e-6,-0.000016704479524700002],[-2.114334685128714,3.6621384947203532,0.0000247631266804],[-0.0000291606056865,0.0000312204182486,7.493759627807859]],"pbc":[true,true,true],"a":4.228684690907024,"b":4.228672311241934,"c":7.493759627929631,"alpha":89.99934627295792,"beta":90.0004492899111,"gamma":119.99986495328957,"volume":116.04870984400846},"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":-0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"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":[-0.00001458030284325,0.0000156102091243,3.7468798139039294]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33334656265809304,0.66665261172168,0.28482419689773003],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.00008246072417462957,2.4413858408190894,2.134415007757251]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666534373419061,0.333347388278319,0.715175803102262],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.114238384407368,1.220792143481451,5.359352678697704]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666668202557389,0.333342319268979,0.266817615589218],"properties":{"magmom":0.0},"label":"Ge","xyz":[2.1143246138266174,1.2207595822591737,1.9994641939431794]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333179744261004,0.66665768073102,0.7331823844107811],"properties":{"magmom":0.0},"label":"Ge","xyz":[-3.7686950748054916e-6,2.4414184020413674,5.494303492511828]}]} | false | -20.223898 | -20.223898 | -0.737001 | 0 | true | -0.053062 | 0 | null | null | 5.512474 | false | true | false | NM | 0.000006 | 0 | 0.000006 | 0 | 0 | [
"Cu+",
"Lu3+",
"Ge4-",
"Pr3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250039 | ScPa(IN)2 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.925699995643302,0.0,0.0],[0.0,3.925699995643302,0.0],[0.0,0.0,9.493600600966614]],"pbc":[true,true,true],"a":3.925699995643302,"b":3.925699995643302,"c":9.493600600966614,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":146.3070224206931},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.891672102432693],"properties":{"magmom":0.0},"label":"Sc","xyz":[0.0,1.962849997821651,8.465178807520179]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.09865905660122101],"properties":{"magmom":-0.0},"label":"Pa","xyz":[1.962849997821651,0.0,0.936629679040151]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.315063417448321],"properties":{"magmom":0.0},"label":"I","xyz":[0.0,1.962849997821651,2.9910862492299755]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.6947399230747561],"properties":{"magmom":0.0},"label":"I","xyz":[1.962849997821651,0.0,6.5955833512180035]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9999327502215031],"properties":{"magmom":0.0},"label":"N","xyz":[0.0,0.0,9.49296215842906]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.9999327502215031],"properties":{"magmom":0.0},"label":"N","xyz":[1.962849997821651,1.962849997821651,9.49296215842906]}]} | false | -27.751242 | -27.751242 | -1.813013 | 0 | true | -0.117316 | 1.9543 | 6.2862 | 4.3319 | 4.465036 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"N3-",
"I-",
"Pa5+",
"Sc3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250040 | LaHg(PdAu)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.847242483463099,2.3400547000000003e-9,2.7985566536894533],[1.635164848929788,4.48472580059012,2.764924428663284],[0.04668254465472001,-0.008181259499284001,5.516256377710149]],"pbc":[true,true,true],"a":5.5971134558269435,"b":5.516460521554854,"c":5.516459971540655,"alpha":59.8346159039641,"beta":59.51517128725781,"gamma":59.51517338511181,"volume":119.40174167299547},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24586933806298802,0.254130661936677,0.254130661938241],"properties":{"magmom":0.0},"label":"La","xyz":[1.6191972922480453,1.137627227991767,2.792581231924009]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000895544798709,0.9991044552013051,0.999104455201234],"properties":{"magmom":0.0},"label":"Hg","xyz":[1.684682146693128,4.472535594913031,8.276270870829945]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12458913727225901,0.624642787217709,0.624642787217744],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.654467602767578,2.7962412595427453,5.521449619437798]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6261252882922861,0.62464278721773,0.62464278721778],"properties":{"magmom":-0.0},"label":"Pd","xyz":[4.085534940984454,2.7962412607164606,6.92502695194095]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626260345786903,0.6246188112382001,0.12285949718750501],"properties":{"magmom":0.0},"label":"Au","xyz":[4.062725871887294,2.800238954330927,4.157373352361752]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6262603457868391,0.12285949718837201,0.6246188112374961],"properties":{"magmom":0.0},"label":"Au","xyz":[3.265690080513644,0.5458809897708364,5.537879783839603]}]} | false | -38.36333 | -38.36333 | -0.662761 | 0 | true | -0.057689 | 0 | null | null | 8.531511 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250041 | Pr2PaOs3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.102783787801729,8.988637000000001e-10,2.946093466314368],[1.70092726678414,4.810950806333767,2.946093459343922],[0.281996117405511,0.19940179022016602,5.403755694218359]],"pbc":[true,true,true],"a":5.892187123412865,"b":5.892187021729905,"c":5.414781480999222,"alpha":57.03793614275895,"beta":57.03794071086476,"gamma":60.00000661609287,"volume":126.66278796727113},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7470557469547141,0.747055746954544,0.758831759135937],"properties":{"magmom":-0.004},"label":"Pr","xyz":[5.29673905378773,3.7453608601063633,8.502333544328508]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.502944253045285,0.5029442530454561,0.491168240864063],"properties":{"magmom":-0.004},"label":"Pr","xyz":[3.56039491120149,2.5175798867096333,5.617594730517301]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.625],"properties":{"magmom":-0.032},"label":"Pa","xyz":[1.026711455201678,0.7259949697916827,4.113870674593761]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.125],"properties":{"magmom":0.342},"label":"Os","xyz":[1.7361770298909924,3.0317694778484827,2.8850395571565417]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":0.342},"label":"Os","xyz":[3.4371052903997876,0.6262940751310314,2.885039560641765]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.125],"properties":{"magmom":0.342},"label":"Os","xyz":[0.8857133964989226,0.6262940746815996,1.411992827484581]}]} | false | -49.383484 | -49.383484 | -0.280215 | 0 | true | -0.189777 | 0 | null | null | 7.192833 | false | true | true | FM | 1.034804 | 0.00817 | 1.034804 | 3 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250042 | Yb2GaCo2Ru | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.490127020614304,0.080362638382832,2.58279798278726],[1.568492689007354,4.208030303729408,2.582797973270259],[0.007148384872624001,0.0050593713407660005,5.174043045812982]],"pbc":[true,true,true],"a":5.180593038908622,"b":5.180592024402568,"c":5.174050457482061,"alpha":60.01557860015316,"beta":60.015581094888844,"gamma":58.4282460583866,"volume":96.99485966082976},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12459672465199301,0.12459672465156701,0.11592330864031201],"properties":{"magmom":-0.373},"label":"Yb","xyz":[0.7557128361560684,0.534906213671578,1.2434085259172853]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8754032753480061,0.8754032753484321,0.884076691359688],"properties":{"magmom":-0.373},"label":"Yb","xyz":[5.310055258338209,3.758546099781424,9.096230475953211]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.019},"label":"Ga","xyz":[3.0328840472471414,2.146726156726503,5.169819500935251]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":1.675},"label":"Co","xyz":[2.2486377027434643,0.042711004861799004,3.878420514300121]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":1.675},"label":"Co","xyz":[0.787820536939989,2.106544837535087,3.8784205095416207]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.608},"label":"Ru","xyz":[3.0293098548108293,2.14419647105612,2.5827979780287595]}]} | false | -23.187228 | -23.187228 | -0.454806 | 0 | true | -0.02916 | 0 | null | null | 6.784211 | false | true | true | FiM | 3.187017 | 0.032858 | 3.187017 | 5 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250043 | Cs2YbMgBi2 | 115 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.255038089145188,0.0,0.0],[0.0,5.255038089145188,0.0],[0.0,0.0,9.079209822623048]],"pbc":[true,true,true],"a":5.255038089145188,"b":5.255038089145188,"c":9.079209822623048,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":250.72624080642822},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.35618330933476],"properties":{"magmom":-0.0},"label":"Cs","xyz":[2.627519044572594,0.0,3.2338630007665365]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.643815690665242],"properties":{"magmom":-0.0},"label":"Cs","xyz":[0.0,2.627519044572594,5.845337742646707]},{"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":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Mg","xyz":[2.627519044572594,2.627519044572594,0.0]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.187423405449912],"properties":{"magmom":0.0},"label":"Bi","xyz":[0.0,2.627519044572594,1.7016564237503031]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.8125755945500891],"properties":{"magmom":0.0},"label":"Bi","xyz":[2.627519044572594,0.0,7.377544319662932]}]} | false | -35.197461 | -35.197461 | -0.544105 | 0 | true | -0.128454 | 0 | null | null | 3.91858 | false | true | false | NM | 0.000544 | 0.000002 | 0.000544 | 0 | 0 | [
"Mg2+",
"Bi3-",
"Cs+",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250044 | ErZnCu3Au | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.346695330184506,-4.318472e-10,2.509565333421219],[1.44889844475445,4.098103896586201,2.509565330361092],[0.016171880377009,0.011435564094262001,4.991120391811085]],"pbc":[true,true,true],"a":5.019131245161591,"b":5.019131438583496,"c":4.991159691634152,"alpha":59.81444401754817,"beta":59.81444614622659,"gamma":60.00000382511649,"volume":88.65839015682003},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00225302323129,0.002253023231411,0.9932399303056411],"properties":{"magmom":0.0},"label":"Er","xyz":[0.029120164752804076,0.020591382166762172,4.968688288096192]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6221510714564781,0.622151071456251,0.133546785631494],"properties":{"magmom":-0.0},"label":"Zn","xyz":[3.6078945794464032,2.5511669127581396,3.7892056052778327]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624086924103735,0.125881675649985,0.625945476142412],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.9052281980659695,0.5230342248324336,5.006264428847467]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125881675649921,0.6240869241037711,0.6259454761423551],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.4615305807915588,2.5647310950357385,5.006264427322542]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624086924103821,0.6240869241037851,0.625945476142518],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.6270770077195604,2.564731094820649,6.256543047771803]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251540381454745,0.251540381454788,0.24537785563558803],"properties":{"magmom":-0.0},"label":"Au","xyz":[1.4617940902334585,1.0336446514754523,2.4872244607007783]}]} | false | -21.415082 | -21.415082 | -0.421518 | 0 | true | -0.011708 | 0 | null | null | 6.181109 | 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-3250045 | AcNdSi2Pb | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.949694267036491,-0.047895522884448004,0.0],[-6.9503849033960075,3.85902709112767,0.0],[0.0,0.0,4.426754147386511]],"pbc":[true,true,true],"a":7.94983854681749,"b":7.949839016949489,"c":4.426754147386511,"alpha":90.0,"beta":90.0,"gamma":151.30506574535025,"volume":134.33070995528433},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36795153506695005,0.632048464932481,0.5],"properties":{"magmom":0.0},"label":"Ac","xyz":[-1.4678779000123279,2.4214689179119344,2.2133770736932554]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637971553472354,0.36202844652476,0.5],"properties":{"magmom":0.0},"label":"Nd","xyz":[2.555441751845936,1.3665216017589519,2.2133770736932554]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.197434580634599,0.802565419365024,0.0],"properties":{"magmom":0.0},"label":"Si","xyz":[-4.008594020956723,3.0876654632569016,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7840254462580981,0.215974553738213,0.0],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.731656317508963,0.7959003451667285,0.0]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.012617884568008001,0.987382115439515,0.0],"properties":{"magmom":-0.0},"label":"Pb","xyz":[-6.762377424421598,3.8097299925969565,0.0]}]} | false | -35.081936 | -35.081936 | -0.704305 | 0 | true | -0.048685 | 0 | null | null | 6.874172 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [
"Nd3+",
"Pb2+",
"Ac3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250046 | LaPr(GeRh2)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.379351518767661,0.029288570730381002,0.0],[-8.486192073859643,3.994700669682094,0.0],[0.0,0.0,4.123662600131886]],"pbc":[true,true,true],"a":9.379397247850454,"b":9.3793970677649,"c":4.123662600131886,"alpha":90.0,"beta":90.0,"gamma":154.6133369155744,"volume":155.52909049063274},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9048782816370671,0.095121718362754,0.25],"properties":{"magmom":0.0},"label":"La","xyz":[7.6799503127505835,0.40648538359911784,1.0309156500329715]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.097847668941724,0.9021523310583811,0.75],"properties":{"magmom":0.0},"label":"Pr","xyz":[-6.7380902789452,3.60669433940678,3.092746950098914]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32198084172978203,0.67801915827188,0.75],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-2.7338293099594937,2.717913944262799,3.092746950098914]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6768749910412161,0.32312500895726204,0.25],"properties":{"magmom":-0.0},"label":"Ge","xyz":[3.606547585359334,1.310612390723344,1.0309156500329715]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5434755003030101,0.45652449969671205,0.25],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.2232931683310753,1.8395963452955926,1.0309156500329715]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45626019216705005,0.543739807833119,0.75],"properties":{"magmom":-0.0},"label":"Rh","xyz":[-0.33485572112013423,2.185440983393516,3.092746950098914]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24867594387357103,0.751324056126613,0.25],"properties":{"magmom":-0.0},"label":"Rh","xyz":[-4.043461158150181,3.0085980731283337,1.0309156500329715]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7500065803065611,0.249993419693282,0.75],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.913083181365886,1.0206155018404304,3.092746950098914]}]} | false | -23.850053 | -23.850053 | -0.920353 | 0 | true | -0.039925 | 0 | null | null | 8.325751 | false | true | false | NM | 0.00002 | 0 | 0.00002 | 0 | 0 | [
"Rh+",
"Ge4-",
"Pr3+",
"La+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250047 | Pu2TcWC3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.705442420046342,0.0019580934100130003,2.435528007784122],[4.772394501049204,3.126710761453469,2.435528008654113],[0.059452014172762004,0.017752720609149,5.705643067874819]],"pbc":[true,true,true],"a":6.203537194157455,"b":6.203536583302486,"c":5.705980416989371,"alpha":66.28649321098746,"beta":66.2864979661604,"gamma":30.477356440418344,"volume":101.23838157930169},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.606026867174961,0.6060268671736181,0.19705503987199702],"properties":{"magmom":4.757},"label":"Pu","xyz":[6.361566003078548,1.899555647604062,4.076316539707994]},{"species":[{"element":"Pu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.394831496951411,0.39483149694963504,0.8113334191188241],"properties":{"magmom":4.615},"label":"Pu","xyz":[4.18521544229273,1.2497003829359346,6.552425237230653]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8419197236692,0.841919723673562,0.324227859774524],"properties":{"magmom":-0.229},"label":"Tc","xyz":[8.84077356459504,2.6398439443610133,5.950966575881899]},{"species":[{"element":"W","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.156838970983692,0.156838970989014,0.6713273013062131],"properties":{"magmom":-0.138},"label":"W","xyz":[1.683244921096779,0.5026150897795381,4.594325376207961]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7500455405196571,0.7500455405194011,0.741009014350382],"properties":{"magmom":-0.042},"label":"C","xyz":[7.90290933538201,2.3597990483529196,7.8814467887113295]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251200999230562,0.25120099923203304,0.2546531218359],"properties":{"magmom":-0.06},"label":"C","xyz":[2.647182745369623,0.7904455283320446,2.6765739579565926]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9991374014705271,0.9991374014627391,0.000394243742171],"properties":{"magmom":-0.073},"label":"C","xyz":[10.468822192922731,3.125977068584725,4.869103664737079]}]} | false | -40.316584 | -40.316584 | -0.332747 | 0 | true | -0.129374 | 0 | null | null | 11.119325 | false | true | true | FiM | 9.203438 | 0.090909 | 9.203438 | 4 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250048 | Ac2PBr2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.439288490765837,5.384947999999998e-10,0.0],[-2.219644744496753,3.844536284839987,0.0],[2e-16,1e-16,10.76451551188364]],"pbc":[true,true,true],"a":4.439288490765837,"b":4.439288460690891,"c":10.76451551188364,"alpha":90.0,"beta":90.0,"gamma":120.00000765553418,"volume":183.71804741409062},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.842803508994805],"properties":{"magmom":-0.0},"label":"Ac","xyz":[-2.5523869454542844e-6,2.5630254715849023,9.072371446044542]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.157196491005194],"properties":{"magmom":-0.0},"label":"Ac","xyz":[2.219646298656028,1.2815108137935758,1.692144065839088]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"P","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6649341485161101],"properties":{"magmom":0.0},"label":"Br","xyz":[2.219646298656028,1.2815108137935758,7.157693956082808]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.335065851483889],"properties":{"magmom":0.0},"label":"Br","xyz":[-2.5523869455558322e-6,2.5630254715849023,3.606821555800823]}]} | false | -36.578708 | -36.578708 | -2.019749 | 0 | true | -0.740703 | 0 | null | null | 4.601588 | false | true | false | NM | 0.000034 | 0 | 0.000034 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250049 | YbCu2HgPt2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.387294034736598,0.02543420003696,2.687830956214085],[1.611092718533995,4.352668942588089,2.890792531373141],[-0.021841695501679,0.025434211148603003,5.145126025946411]],"pbc":[true,true,true],"a":5.145233823156104,"b":5.467908935866334,"c":5.145235250368077,"alpha":57.90285319284869,"beta":58.74914419376459,"gamma":57.90285239154071,"volume":98.08423986340698},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748705761130622,0.751294238867345,0.748705761132704],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.478843994042008,3.308220572777495,8.036415793823997]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8757728474053721,0.37261572626704903,0.37899670006075303],"properties":{"magmom":0.0},"label":"Cu","xyz":[4.434313542087105,1.6537869631243043,5.381069913663263]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.378996700059936,0.37261572626739003,0.8757728474048171],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.243960080896807,1.653786968645753,6.601795491289749]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9958031930966981,0.004196806900907,0.9958031930991491],"properties":{"magmom":-0.0},"label":"Hg","xyz":[4.353892823760674,0.06892223734201905,7.812215672281865]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375361249153563,0.874437749845398,0.37536124915123903],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.0474219347627853,3.825232066343687,5.468006633781741]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37536124915380503,0.374838751851911,0.375361249151318],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.2425216269096584,1.6506430240293155,4.023769581701721]}]} | false | -35.747888 | -35.747888 | -0.65352 | 0 | true | -0.01478 | 0 | null | null | 6.762442 | 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-3250050 | Tb2HfIr3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.683272815010918,-0.180654769843853,2.408880922676004],[1.3907675923253011,4.475650831498856,2.408880917943114],[-0.25548501652126204,-0.180654770977032,5.260273388502928]],"pbc":[true,true,true],"a":5.269571871159935,"b":5.26957229176991,"c":5.269571601348226,"alpha":65.51781872663628,"beta":65.51782096161932,"gamma":65.5178213252712,"volume":115.87908027090259},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25159523999383904,0.251595239993577,0.251595239993939],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.463920839969145,1.035148684443495,2.5355856921372206]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.998403760006155,0.9984037600064181,0.9984037600060561],"properties":{"magmom":0.0},"label":"Tb","xyz":[5.809267579994128,4.107773814562659,10.061948266230058]},{"species":[{"element":"Hf","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.625,0.625],"properties":{"magmom":0.0},"label":"Hf","xyz":[3.636597119259348,2.5714633066737322,6.298772018201279]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125000999999997,0.625],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.9412147138642855,0.33364236657512203,5.094333968110632]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125000999999997,0.625,0.625],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.2949653950266902,2.661790510940889,5.094333965744192]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.625,0.125000999999997],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.764339372034963,2.661790511507478,3.6686405842231875]}]} | false | -45.120426 | -45.120426 | -1.006702 | 0 | true | -0.04895 | 0 | null | null | 6.176563 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250051 | YbAl2ZnGa | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.84693666238171,-9.174560200000005e-9,1.378888173481381],[-0.49424501651679403,3.815055341282621,1.378888177335062],[-0.081038334523042,-0.092214280727756,6.281783081285789]],"pbc":[true,true,true],"a":4.086594459858153,"b":4.086594914962229,"c":6.2829825215068675,"alpha":71.02162331951335,"beta":71.02162011574555,"gamma":89.99998870898911,"volume":93.1714839193968},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000709121383963,0.0007091213839340001,0.99858175723201],"properties":{"magmom":-0.0},"label":"Yb","xyz":[-0.0785459371512435,-0.08937816117411922,6.274829586043185]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7514090303638811,0.251409030363966,0.497181939272387],"properties":{"magmom":-0.0},"label":"Al","xyz":[2.7260744906732257,0.9132920823220516,4.505963059502151]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251409030363881,0.7514090303639661,0.497181939272387],"properties":{"magmom":-0.0},"label":"Al","xyz":[0.5554836512239733,2.820819757550643,4.505963061428991]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38997749759382505,0.38997749759382505,0.220044004812351],"properties":{"magmom":-0.0},"label":"Zn","xyz":[1.2896422985863496,1.4674945319652548,2.457739426783422]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6064953202944561,0.6064953202943141,0.787010359410871],"properties":{"magmom":0.0},"label":"Ga","xyz":[1.9696137848284216,2.2412396113690427,6.616406811732556]}]} | false | -14.471147 | -14.471147 | -0.401757 | 0.0092 | false | null | 0 | null | null | 5.514725 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250052 | ThUSbN2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.815546334447368,0.029525312098927003,-5.8695627249787075],[-0.310705055740639,3.802989390672508,-5.869562724641502],[-0.027001401394552003,-0.029525313803012,7.000673100299065]],"pbc":[true,true,true],"a":7.000787966852642,"b":7.0007879924856615,"c":7.000787432645227,"alpha":147.1951468843634,"beta":147.1951512262191,"gamma":47.07492552674702,"volume":100.33423945070987},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34530793245982405,0.34530793245986,3.7660000000000003e-13],"properties":{"magmom":-0.029},"label":"Th","xyz":[1.210249495550045,1.323397728136007,-4.053613137892432]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6622288962143721,0.662228896214344,0.9999999999996371],"properties":{"magmom":1.3760000000000001},"label":"U","xyz":[2.2940057700099916,2.5084766675385715,-0.7733149887273468]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.006600943773783,0.006600943773811,3.4110000000000003e-13],"properties":{"magmom":-0.137},"label":"Sb","xyz":[0.023135260216758918,0.02529821406528732,-0.0774893070441045]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7429306137760101,0.242930613775989,0.49999999999982203],"properties":{"magmom":-0.07200000000000001},"label":"N","xyz":[2.745705709550141,0.9310351481977301,-2.2862377630107615]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24293061377601002,0.742930613775989,0.49999999999982203],"properties":{"magmom":-0.07200000000000001},"label":"N","xyz":[0.6825800144561374,2.8177671874845203,-2.2862377628421586]}]} | false | -41.162857 | -41.162857 | -1.686634 | 0 | true | -0.038907 | 0 | null | null | 8.302933 | false | true | true | FM | 1.003748 | 0.010004 | 1.003748 | 1 | 1 | [
"U5+",
"Th4+",
"N3-",
"Sb3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250053 | CaPrNbRh3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.7953877620179854,-0.032056954175228004,2.081956306759145],[1.353553048861408,4.600506997719199,2.081956308909767],[-0.043147054095995,-0.032056955422196005,5.227659206698031]],"pbc":[true,true,true],"a":5.227935873715078,"b":5.227935784260793,"c":5.22793554838263,"alpha":67.00299729357396,"beta":67.00299575958944,"gamma":67.00300436435809,"volume":116.20120236366537},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.629230844501911,0.629230844501933,0.629230844501918],"properties":{"magmom":-0.0},"label":"Ca","xyz":[3.8419537619353434,2.8544384538315977,5.909466668988386]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375103107273275,0.375103107273346,0.37510310727331103],"properties":{"magmom":-0.0},"label":"Pr","xyz":[2.2903022105393105,1.701615143167811,3.5228077727503107]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.998702409906641,0.9987024099065561,0.9987024099065991],"properties":{"magmom":-0.0},"label":"Nb","xyz":[6.097870939292391,4.530506709390656,9.379385411808775]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.99898589180546,0.9989858918054461,0.49899185470724905],"properties":{"magmom":0.0},"label":"Rh","xyz":[6.121175091066806,4.547820981276013,6.768249321091662]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.498991854707348,0.9989858918053611,0.99898589180546],"properties":{"magmom":0.0},"label":"Rh","xyz":[3.7019365347180866,4.547820980652143,8.341082013543684]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9989858918053611,0.498991854707348,0.9989858918054461],"properties":{"magmom":0.0},"label":"Rh","xyz":[5.422833367973326,2.231566628229723,8.341082012468313]}]} | false | -22.808038 | -22.808038 | -0.54387 | 0 | true | -0.021972 | 0 | null | null | 6.744733 | 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-3250054 | PrAgPt4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.662364880718506,2.9385303000000003e-9,2.6918179035606022],[1.554121299129704,4.39571961151744,2.6918179035606022],[0.0,0.0,5.383635807121205]],"pbc":[true,true,true],"a":5.383635380194938,"b":5.383635160504195,"c":5.383635807121205,"alpha":59.99999602686321,"beta":59.99999737675262,"gamma":60.00000036018193,"volume":110.33464807126384},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Pr","xyz":[3.1082430899241054,2.197859807227985,5.383635807121205]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Ag","xyz":[4.662364634886158,3.2967897108419777,8.075453710681806]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124293410324618,0.6271197690282471,0.12429341032356601],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.5541214213543333,2.7566426678529927,2.6918179035605947]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124293410324114,0.12429341032356601,0.6271197690264431],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.7726682675252059,0.5463589817069233,4.045334898292972]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62711976902716,0.124293410324618,0.124293410324114],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.117028223443489,0.546358983189118,2.6918179035606187]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124293410324114,0.12429341032356601,0.12429341032588301],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.7726682675252059,0.5463589817069233,1.3383009088282658]}]} | false | -43.568377 | -43.568377 | -0.78326 | 0 | true | -0.068476 | 0 | null | null | 8.180637 | false | true | false | NM | 0.000006 | 0 | 0.000006 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250055 | ThCCl | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.144180735392885,0.12386923481614101,0.309634103973184],[2.320611744496097,3.435743653476835,0.30963409932549],[-0.09267475885715701,-0.051027657948493,9.764731119006878]],"pbc":[true,true,true],"a":4.1575775198159235,"b":4.157577010298748,"c":9.76530420720759,"alpha":86.2814717998101,"beta":86.28147448509249,"gamma":54.08861771900365,"volume":136.35053958336917},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8519081863093161,0.851908186313956,0.146978969350364],"properties":{"magmom":-0.0},"label":"Th","xyz":[5.493788395877478,3.0249633670712446,1.9627697677676965]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.148091813690683,0.14809181368604302,0.8530210306496351],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.8783293251543416,0.4836218632732351,8.421229554537847]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.572064010015772,0.5720640100192681,0.043873378642985],"properties":{"magmom":0.0},"label":"C","xyz":[3.694209155187224,2.0340876672342767,0.7826727973865117]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42793598998422705,0.427935989980731,0.9561266213570151],"properties":{"magmom":0.0},"label":"C","xyz":[2.677908565844595,1.4744975631102029,9.601326524919042]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8277517421807731,0.8277517421789541,0.66325428868545],"properties":{"magmom":0.0},"label":"Cl","xyz":[5.289776306796145,2.9126314567914826,6.9891001266986565]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.172248257819227,0.17224825782104602,0.336745711314549],"properties":{"magmom":0.0},"label":"Cl","xyz":[1.0823414142356809,0.5959537735530007,3.394899195606886]}]} | false | -31.277556 | -31.277556 | -1.419244 | 0 | true | -0.168838 | 0 | null | null | 5.432813 | false | true | false | NM | 0.000003 | 0 | 0.000001 | 0 | 0 | [
"Th4+",
"C3-",
"Cl-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250056 | LiErHgPb | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.412492129036275,0.0,2.547554067739284],[1.470830709678758,4.160138310425205,2.547554067739284],[0.0,0.0,5.095108135478568]],"pbc":[true,true,true],"a":5.095107311613962,"b":5.095107993600977,"c":5.095108135478568,"alpha":59.99999907886683,"beta":59.99999465109941,"gamma":60.00000086183313,"volume":93.5287476168588},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Li","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Er","xyz":[2.9416614193575166,2.0800691552126027,5.095108135478568]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Hg","xyz":[4.412492129036275,3.120103732818904,7.642662203217851]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Pb","xyz":[1.4708307096787583,1.0400345776063014,2.547554067739284]}]} | false | -36.000893 | -36.000893 | -0.509622 | 0 | true | -0.064659 | 0.032 | 4.8184 | 4.7864 | 4.802942 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250057 | PrDyCI | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8360348974045473,1.3496826e-9,0.0],[-1.918016946361249,3.322102884923044,0.0],[0.0,0.0,15.2107510260803]],"pbc":[true,true,true],"a":3.8360348974045473,"b":3.8360339655095523,"c":15.2107510260803,"alpha":90.0,"beta":90.0,"gamma":119.99999935216749,"volume":193.8412874282447},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.41266486855288004],"properties":{"magmom":0.028},"label":"Pr","xyz":[-1.583123245577877e-6,2.2147363644328713,6.276942572768013]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9126648685528801],"properties":{"magmom":0.028},"label":"Pr","xyz":[1.9180195341665418,1.1073665218398518,13.882318085808164]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.585252932527865],"properties":{"magmom":0.022},"label":"Dy","xyz":[1.9180195341665418,1.1073665218398518,8.902136643964727]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.085252932527865],"properties":{"magmom":0.022},"label":"Dy","xyz":[-1.583123245577877e-6,2.2147363644328713,1.2967611309245772]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.509561258230469],"properties":{"magmom":-0.006},"label":"C","xyz":[0.0,0.0,7.750809431479876]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.009561258230469001],"properties":{"magmom":-0.006},"label":"C","xyz":[0.0,0.0,0.14543391843972509]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.24252194068878902],"properties":{"magmom":0.0},"label":"I","xyz":[1.9180195341665418,1.1073665218398518,3.6889408581789835]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7425219406887891],"properties":{"magmom":0.0},"label":"I","xyz":[-1.583123245577877e-6,2.2147363644328713,11.294316371219134]}]} | false | -24.887261 | -24.887261 | -0.914342 | 0 | true | -0.025896 | 0 | null | null | 5.783308 | false | true | false | NM | 0.173019 | 0.000893 | 0.08651 | 0 | 0 | [
"I-",
"C4-",
"Pr3+",
"Dy2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250058 | ErSiPRu2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.814591333356691,0.029420246271869004,-4.009504236874158],[-0.5883978949797151,3.769053986924764,-4.009504236666282],[-0.024987363406501,-0.029420247769943002,5.534131583668611]],"pbc":[true,true,true],"a":5.534265698077975,"b":5.534266370804254,"c":5.5342661938749655,"alpha":136.68638740765974,"beta":136.6863897277305,"gamma":62.920932209251745,"volume":78.76818571804381},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001222583374577,0.0012225833745060002,7.1e-15],"properties":{"magmom":0.0},"label":"Er","xyz":[0.003944290460970696,0.004643951445997511,-0.009803906440018663]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.374429099144855,0.374429099149708,0.9999999999994381],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.182993339389191,1.392839037509124,2.5315814648633372]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6293193070441061,0.629319307040148,4.619e-13],"properties":{"magmom":-0.0},"label":"P","xyz":[2.030305819031958,2.3904531722452655,-5.046516855730858]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24751500521822503,0.7475150052178131,0.5000000000000491],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.49183865654201375,2.8099962392268147,-1.2225112506702651]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.747515005218225,0.24751500521781303,0.5000000000000491],"properties":{"magmom":-0.0},"label":"Ru","xyz":[2.693333270710217,0.9401793689003667,-1.2225112507742029]}]} | false | -21.609751 | -21.609751 | -1.099682 | 0 | true | -0.060306 | 0 | null | null | 9.210407 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"P3-",
"Ru2+",
"Er3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250059 | AcCBr | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.417373821021044,-0.00040261818744000003,0.293093249930311],[2.3565567572179402,3.73628473727745,0.293093234726082],[0.042094177214513,0.023215314532281,10.37089645034631]],"pbc":[true,true,true],"a":4.427086546465765,"b":4.427085613837184,"c":10.371007861070682,"alpha":85.97144855250762,"beta":85.97144917226345,"gamma":57.626056660575884,"volume":171.116865011367},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.852973067620801,0.852973067629591,0.15250171471964002],"properties":{"magmom":-0.0},"label":"Ac","xyz":[5.784399779396493,3.190147206696675,2.081580775875434]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.147026932379198,0.147026932370408,0.8474982852803591],"properties":{"magmom":-0.0},"label":"Ac","xyz":[1.031624976056998,0.5689502269256124,8.87550215912726]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.570938688329526,0.5709386883261941,0.031650925596494],"properties":{"magmom":0.0},"label":"C","xyz":[3.8688313588382433,2.133694423007492,0.6629250145840951]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.429061311670473,0.429061311673805,0.968349074403505],"properties":{"magmom":0.0},"label":"C","xyz":[2.947193396615247,1.6254030106147959,10.294157920418597]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8268574679079991,0.8268574679076791,0.6577321732498761],"properties":{"magmom":0.0},"label":"Br","xyz":[5.628761780366967,3.104311488672337,7.305964933260486]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.173142532092001,0.17314253209232,0.342267826750124],"properties":{"magmom":0.0},"label":"Br","xyz":[1.1872629750865278,0.6547859449499511,3.6511180017422173]}]} | false | -31.872928 | -31.872928 | -1.258396 | 0 | true | -0.150153 | 0 | null | null | 4.611045 | false | true | false | NM | 0.000006 | 0 | 0.000003 | 0 | 0 | [
"Br-",
"C2-",
"Ac3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250060 | Eu2TeP | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.173087953417538,-0.004241288912442001,6.516583624480767],[1.904545331141239,3.713137534690078,6.516583623430407],[-0.006950909514080001,-0.004241290787750001,7.738247562314752]],"pbc":[true,true,true],"a":7.738251946682862,"b":7.738252088880122,"c":7.738251846467703,"alpha":32.686133841586205,"beta":32.68613564120283,"gamma":32.68613801586685,"volume":120.19966694127419},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.760023703531139,0.760023703531103,0.760023703531132],"properties":{"magmom":6.548},"label":"Eu","xyz":[4.613862501642612,2.815625579196265,15.786767611649172]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23997629646886,0.239976296468896,0.239976296468867],"properties":{"magmom":6.548},"label":"Eu","xyz":[1.4568198734020779,0.8890293757936177,4.984647198576735]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.124},"label":"Te","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.177},"label":"P","xyz":[3.0353411875223486,1.8523274774949432,10.385707405112964]}]} | false | -29.488929 | -29.488929 | -1.623663 | 0 | true | -0.023087 | 0 | null | null | 3.248567 | false | true | true | FM | 12.999972 | 0.108153 | 12.999972 | 2 | 1 | [
"Eu2+",
"P2-",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250061 | NaLi2AcP2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.394946164677761,9.029259e-10,0.0],[-2.197473580787357,3.806134821016149,0.0],[0.0,0.0,7.2615509726051854]],"pbc":[true,true,true],"a":4.394946164677761,"b":4.394946235622234,"c":7.2615509726051854,"alpha":90.0,"beta":90.0,"gamma":120.00000695765706,"volume":121.46946473015073},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Na","xyz":[0.0,0.0,3.6307754863025927]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.352933426928345],"properties":{"magmom":0.0},"label":"Li","xyz":[2.1974751136626125,1.2687103388957384,2.5628440695764048]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.647066573071654],"properties":{"magmom":0.0},"label":"Li","xyz":[-2.5297722106177836e-6,2.537424483023333,4.698706903028774]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.26043249393092],"properties":{"magmom":-0.0},"label":"P","xyz":[-2.5297722106177836e-6,2.537424483023333,1.8911438296020662]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7395675060690791],"properties":{"magmom":-0.0},"label":"P","xyz":[2.1974751136626125,1.2687103388957384,5.370407143003113]}]} | false | -16.897608 | -16.897608 | -1.067737 | 0 | true | -0.184896 | 1.2047 | 5.3918 | 4.1871 | 4.341382 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"P3-",
"Na+",
"Li+",
"Ac3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250062 | Ho2LuZnRu2 | 123 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.36808320202116,0.0,0.0],[0.0,3.36808320202116,0.0],[0.0,0.0,10.436972472931593]],"pbc":[true,true,true],"a":3.36808320202116,"b":3.36808320202116,"c":10.436972472931593,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":118.39685349789211},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.499999000000002,0.315326084569981],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.6840382329273849,1.6840382329273849,3.2910496646541914]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.499999000000002,0.6846739154300181],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.6840382329273849,1.6840382329273849,7.145922808277392]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.499999000000002,0.0],"properties":{"magmom":-0.0},"label":"Lu","xyz":[1.6840382329273849,1.6840382329273849,0.0]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Zn","xyz":[0.0,0.0,5.218486236465797]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.15983100430993602],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.0,0.0,1.6681517923038132]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8401689956900641],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.0,0.0,8.768820680627782]}]} | false | -27.75298 | -27.75298 | -0.48594 | 0 | true | -0.029671 | 0 | null | null | 5.181122 | false | true | false | NM | 0.00005 | 0 | 0.00005 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250063 | NdZn3AgRh | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.480547652776015,-0.140982165416094,2.6065561925803102],[1.431998417736447,4.247888511002682,2.606556188665767],[-0.202966459408348,-0.14098216019704402,5.179597652160775]],"pbc":[true,true,true],"a":5.1854911459610875,"b":5.185490471978526,"c":5.185489677109386,"alpha":62.02986495590198,"beta":62.02987073330678,"gamma":62.02985515240399,"volume":103.07046013887071},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000373583494379,0.000373583494138,0.00037358349347000003],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.002133004702390752,0.0014816038147244266,0.0038825449250113916]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8691048376594561,0.379325931549644,0.37932593154936706],"properties":{"magmom":0.0},"label":"Zn","xyz":[4.360269332888501,1.4353277953197037,5.218860655461692]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37932593154924604,0.869104837658703,0.37932593154973604],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.8671542233259806,3.584904074270328,5.218860653543343]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37932593154792404,0.37932593154868505,0.869104837658994],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.066382914263934,1.4353277978720793,6.479082086902266]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.746747603454132,0.7467476034534001,0.7467476034514391],"properties":{"magmom":-0.0},"label":"Ag","xyz":[4.263614891322071,2.961544380917693,7.760731310824423]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37512211229485304,0.375122112295429,0.375122112296978],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.1417895640333944,1.487705857626717,3.898535340211999]}]} | false | -17.385166 | -17.385166 | -0.444846 | 0 | true | -0.013106 | 0 | null | null | 5.492108 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
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