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-3249465 | PmThGa4 | 191 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.231364277072682,5.243166000000003e-9,0.0],[-2.115682629453318,3.664469498586834,0.0],[0.0,0.0,8.523309048302382]],"pbc":[true,true,true],"a":4.231364277072682,"b":4.2313649918960845,"c":8.523309048302382,"alpha":90.0,"beta":90.0,"gamma":120.00000201642418,"volume":132.15991864037835},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.499999000000002],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,4.26164600084216]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.333333999999999,0.24812195972177803],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.1156819748970066,1.221492279337386,2.11482014437915]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666666999999996,0.24812195972177803],"properties":{"magmom":-0.0},"label":"Ga","xyz":[1.7884039946242235e-6,2.4429808889621,2.11482014437915]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.333333999999999,0.751878040278221],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.1156819748970066,1.221492279337386,6.4084889039232245]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666666999999996,0.751878040278221],"properties":{"magmom":-0.0},"label":"Ga","xyz":[1.7884039946242235e-6,2.4429808889621,6.4084889039232245]}]} | false | -25.579348 | -25.579348 | -0.781518 | 0 | true | -0.117546 | 0 | null | null | 5.73232 | 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-3249466 | AcZnCd2Pb | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.361979111931307,-0.021200980336966,-5.356121602391468],[-0.5681486393577541,4.324872686524827,-5.356121606140456],[0.018689113840434,0.021200984097801003,6.907571963688175]],"pbc":[true,true,true],"a":6.907629830419174,"b":6.907630222501575,"c":6.907629781497686,"alpha":140.68609403926166,"beta":140.68610046314782,"gamma":56.81302576889216,"volume":131.2230590470973},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.006113301846006,0.006113301846525,3.268e-13],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.023192830831128955,0.026309644188293582,-0.0654871761821059]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621948360635983,0.6219483606353361,0.9999999999995801],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.378255756788752,2.6978625464739983,0.2451098614083666]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.737039534809767,0.23703853480972703,0.500000999999969],"properties":{"magmom":-0.0},"label":"Cd","xyz":[3.0896225100895993,1.0201360374172683,-1.7634877025775701]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23703853480976203,0.7370395348097311,0.500000999999969],"properties":{"magmom":-0.0},"label":"Cd","xyz":[0.6245537043172934,3.1931772169218497,-1.7634877044520618]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39786026789847906,0.39786026789869305,1.35e-13],"properties":{"magmom":-0.0},"label":"Pb","xyz":[1.509414408179408,1.7122599779719354,-4.261975952740388]}]} | false | -35.198447 | -35.198447 | -0.389809 | 0 | true | -0.109478 | 0 | null | null | 5.061405 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249467 | LaLu(CuSi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.166033819152656,-3.8614138e-9,0.0],[-2.083016416247256,3.607891400729624,0.0],[0.0,0.0,7.67510030805682]],"pbc":[true,true,true],"a":4.166033819152656,"b":4.166033815250944,"c":7.67510030805682,"alpha":90.0,"beta":90.0,"gamma":119.99999224968435,"volume":115.36134414129805},"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":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Lu","xyz":[0.0,0.0,3.83755015402841]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7122744219322641],"properties":{"magmom":0.0},"label":"Cu","xyz":[-1.7541306762536025e-6,2.405262135163065,5.4667776351933135]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.287725578067735],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.0830191570360737,1.2026292617051417,2.2083226728634995]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7286628396298761],"properties":{"magmom":0.0},"label":"Si","xyz":[2.0830191570360737,1.2026292617051417,5.592560384912819]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.271337160370123],"properties":{"magmom":0.0},"label":"Si","xyz":[-1.7541306762536025e-6,2.405262135163065,2.082539923143994]}]} | false | -18.552273 | -18.552273 | -0.707976 | 0 | true | -0.01547 | 0 | null | null | 6.995758 | false | true | false | NM | 0.000017 | 0 | 0.000017 | 0 | 0 | [
"Cu+",
"Lu3+",
"La3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249468 | SmY(SbTe)2 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.288151515627031,0.0,0.0],[0.0,4.288151515627031,0.0],[0.0,0.0,9.421884015152552]],"pbc":[true,true,true],"a":4.288151515627031,"b":4.288151515627031,"c":9.421884015152552,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":173.25189675481278},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.275928992663246],"properties":{"magmom":0.0},"label":"Sm","xyz":[2.1440757578135154,0.0,2.599770965290983]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.723071567872544],"properties":{"magmom":-0.0},"label":"Y","xyz":[0.0,2.1440757578135154,6.812696447149616]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9976503143636741],"properties":{"magmom":-0.0},"label":"Sb","xyz":[0.0,0.0,9.39974554961502]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.9976503143636741],"properties":{"magmom":-0.0},"label":"Sb","xyz":[2.1440757578135154,2.1440757578135154,9.39974554961502]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.379730100224662],"properties":{"magmom":0.0},"label":"Te","xyz":[0.0,2.1440757578135154,3.5777729613790195]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.6259697105121871],"properties":{"magmom":0.0},"label":"Te","xyz":[2.1440757578135154,0.0,5.897814009444446]}]} | false | -26.682849 | -26.682849 | -1.300582 | 0 | true | -0.007929 | 0 | null | null | 5.889557 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Y3+",
"Sm3+",
"Sb-",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249469 | Pr(SiTc2)2 | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.220911865985969,0.018097815481203,0.0],[-6.046291734482379,3.947688194302814,0.0],[0.0,0.0,4.129972019212919]],"pbc":[true,true,true],"a":7.220934545283052,"b":7.220933860513316,"c":4.129972019212919,"alpha":90.0,"beta":90.0,"gamma":146.71545251693402,"volume":118.18052542658425},"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":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5920888190829741,0.407911180910964,0.5],"properties":{"magmom":0.0},"label":"Si","xyz":[1.8090711778889594,1.621021667402579,2.0649860096064594]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40791118091702505,0.5920888190890351,0.5],"properties":{"magmom":0.0},"label":"Si","xyz":[-0.63445104638537,2.3447643423814344,2.0649860096064594]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.807721340586795,0.192278659412934,0.5],"properties":{"magmom":0.0},"label":"Tc","xyz":[4.669911743527507,0.773674185562981,2.0649860096064594]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19227865941320402,0.807721340587065,0.5],"properties":{"magmom":0.0},"label":"Tc","xyz":[-3.495291612023918,3.1921118242210325,2.0649860096064594]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.696930283737614,0.30306971625884604,0.0],"properties":{"magmom":-0.0},"label":"Tc","xyz":[3.2000242352181245,1.209037656604096,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30306971626238505,0.6969302837411531,0.0],"properties":{"magmom":-0.0},"label":"Tc","xyz":[-2.0254041037145356,2.7567483531799177,0.0]}]} | false | -22.085338 | -22.085338 | -0.541033 | 0 | true | -0.164538 | 0 | null | null | 9.306534 | false | true | false | NM | 0.000017 | 0 | 0.000017 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249470 | Ho2Ge2Os2C | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.889024618413714,-0.09415763535924701,-3.232089931787314],[3.2276303839202822,3.673395304179285,-3.232089931877326],[-0.22106835106674103,-0.097485695437883,6.809144399233532]],"pbc":[true,true,true],"a":5.861555485271186,"b":5.861555790378063,"c":6.8134295421815105,"alpha":125.30233038892432,"beta":125.30233103266893,"gamma":41.1261595665875,"volume":121.14150277195583},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5607407276648501,0.560740727665574,0.292415819524322],"properties":{"magmom":0.0},"label":"Ho","xyz":[4.486695149167576,1.9785179753788824,-1.633627380748801]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43925927233514905,0.439259272334425,0.707583180475673],"properties":{"magmom":0.0},"label":"Ho","xyz":[3.4088917231680242,1.5032340954889654,1.9785851071732659]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.846133389167192,0.8461333891685351,0.308934745418021],"properties":{"magmom":-0.0},"label":"Ge","xyz":[6.799477111073257,2.998395780856511,-3.3659771247414656]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.153866610832807,0.15386661083146402,0.691063254581976],"properties":{"magmom":-0.0},"label":"Ge","xyz":[1.096109982330694,0.48335638749703214,3.710928042021545]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20272667046091103,0.20272667046248902,0.101420572040865],"properties":{"magmom":-0.0},"label":"Os","xyz":[1.6230415652828425,0.7157198803968442,-0.6198743409471815]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7972723295390831,0.797272329537506,0.89857842795913],"properties":{"magmom":-0.0},"label":"Os","xyz":[6.272537190397718,2.7660286112333203,0.964838531551539]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,0.0]}]} | false | -30.602799 | -30.602799 | -0.685037 | 0 | true | -0.113255 | 0 | null | null | 6.234364 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249471 | TmLuBr6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.262372240533302,0.028015092081524,4.535246030903409],[2.330461621680785,5.812665292586427,4.535242821391128],[0.041218380924424,0.028020683327973,7.732016512006032]],"pbc":[true,true,true],"a":7.732176115765312,"b":7.7321767066425515,"c":7.732177148485032,"alpha":53.78191816575949,"beta":53.78191263776288,"gamma":53.7819156066092,"volume":279.36786897991396},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8332249119997001,0.833224912000829,0.833224912002634],"properties":{"magmom":0.0},"label":"Tm","xyz":[7.194107420492651,4.889947930940094,14.000266053571636]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16658795915146302,0.16658795915360902,0.16658795915698402],"properties":{"magmom":0.0},"label":"Lu","xyz":[1.4383291423967846,0.9776549338000811,2.7990950773227623]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7776080957800171,0.41825928374696203,0.066088903142727],"properties":{"magmom":0.0},"label":"Br","xyz":[5.847132639295342,2.4548378405710953,5.9345519344382165]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.576801000385302,0.9373856917234341,0.224045154111415],"properties":{"magmom":0.0},"label":"Br","xyz":[5.805918730905348,5.471146307500958,8.599527007906415]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06608990313861,0.7776070957301611,0.41825928376036303],"properties":{"magmom":0.0},"label":"Br","xyz":[2.2433030386237744,4.53354120228096,7.060358658000132]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.937385691757157,0.22404615407553002,0.576801000388918],"properties":{"magmom":0.0},"label":"Br","xyz":[6.416163901642949,1.3447286083779402,9.727213309047341]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41825828375687,0.066088903168442,0.7776080956951501],"properties":{"magmom":0.0},"label":"Br","xyz":[2.805358464723434,0.4176593282083588,8.209112080753574]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22404615403087202,0.5768000004010361,0.9373856917418231],"properties":{"magmom":0.0},"label":"Br","xyz":[2.7859082004365767,3.3852882043550965,10.879914138670857]}]} | false | -21.235668 | -21.235668 | -2.141393 | 0 | true | -0.102256 | 4.8028 | 3.248 | -1.5548 | -1.492836 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Tm3+",
"Br-",
"Lu3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249472 | Dy2RuWC3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.588740006220584,0.007134365438522001,2.298764510361595],[4.582157928732407,3.1996708007640042,2.298764509833837],[0.02855874309484,0.009004622930841,5.688238078162184]],"pbc":[true,true,true],"a":6.043044268446049,"b":6.043044165714713,"c":5.688316896841763,"alpha":67.35388756174078,"beta":67.35388953003952,"gamma":32.158671239558885,"volume":101.30142440456235},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39130409864591004,0.39130409864548404,0.8168448186745251],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.003242110179253,1.2621913846777395,6.4454397507789265]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6080429901690321,0.608042990169636,0.16836541317717002],"properties":{"magmom":0.0},"label":"Dy","xyz":[6.1891514976566,1.951391469209472,3.753197847109807]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.158071744764043,0.158071744764143,0.683319580116823],"properties":{"magmom":-0.0},"label":"Ru","xyz":[1.6272463307357097,0.5130583229005128,4.613623889000151]},{"species":[{"element":"W","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8408999789310051,0.8408999789305861,0.32505899299275803],"properties":{"magmom":-0.0},"label":"W","xyz":[8.561991135481001,2.6995294303563804,5.715074997806521]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.753477972328866,0.7534779723295061,0.729305307687049],"properties":{"magmom":0.0},"label":"C","xyz":[7.6843755957151005,2.4228241735832423,7.612599065652704]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24767153546564902,0.24767153546598303,0.270386609255304],"properties":{"magmom":0.0},"label":"C","xyz":[2.5267638103257437,0.7966690889155168,2.6767004783716315]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0005316796954770001,0.0005316796946460001,0.006720278096366001],"properties":{"magmom":0.0},"label":"C","xyz":[0.0055995826086556785,0.0017655067618098691,0.04067095459108227]}]} | false | -24.799729 | -24.799729 | -0.428637 | 0 | true | -0.028818 | 0 | null | null | 6.769773 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"W3+",
"Ru3+",
"C4-",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249473 | KPaP2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.915628884846372,-0.069863898478929,6.736484612383883],[1.762043260483614,3.497461326212607,6.7364846125789395],[-0.115726712097135,-0.06986389915021801,7.790955289295942]],"pbc":[true,true,true],"a":7.792127787776504,"b":7.792127893950496,"c":7.792127947878275,"alpha":31.01732650289335,"beta":31.017325452273006,"gamma":31.017329172388916,"volume":111.44897175116076},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"K","xyz":[2.7809727166164255,1.67886676429173,10.631962257129382]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pa","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27187584298073303,0.27187584298071904,0.271875842980684],"properties":{"magmom":0.0},"label":"P","xyz":[1.512158603273001,0.912886633588254,5.7811474023923]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.728124157019266,0.728124157019287,0.7281241570193161],"properties":{"magmom":0.0},"label":"P","xyz":[4.049786829959857,2.4448468949952273,15.4827771118665]}]} | false | -26.279652 | -26.279652 | -1.060043 | 0 | true | -0.075539 | 1.4787 | 5.1716 | 3.6929 | 3.80857 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"P3-",
"K+",
"Pa5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249474 | PrMnHgPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.790812702810803,4.398456999999999e-10,2.765976793823587],[1.596937898634249,4.242937029211554,2.765976796588537],[3.9783571000000015e-9,6.5661113000000014e-9,5.531955574169201]],"pbc":[true,true,true],"a":5.53195390231914,"b":5.310682905730215,"c":5.531955574169201,"alpha":58.61188253799491,"beta":60.000001840456726,"gamma":58.61187834339321,"volume":112.44870596636365},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5044270307240161,0.486719907827769,0.504427030724215],"properties":{"magmom":-0.079},"label":"Pr","xyz":[3.193876895270475,2.0651219233108695,5.5319573570257266]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12217207935224601,0.633482761943511,0.12217207935198302],"properties":{"magmom":4.051},"label":"Mn","xyz":[1.5969361808546845,2.6878274688732633,2.7659742722951024]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.753198236091691,0.740405291724748,0.7531982360918901],"properties":{"magmom":-0.017},"label":"Hg","xyz":[4.790812950903852,3.1414930341599905,8.297931879763437]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12271759513534101,0.12979734616806102,0.624766463561215],"properties":{"magmom":0.081},"label":"Pt","xyz":[0.7951953173562546,0.5507219705061194,4.154630788749261]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624766463561378,0.12979734616795402,0.12271759513532701],"properties":{"magmom":0.081},"label":"Pt","xyz":[3.2004174116460016,0.5507219674299806,2.7659742719868436]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12271759513532701,0.129797346167947,0.12271759513536301],"properties":{"magmom":0.081},"label":"Pt","xyz":[0.7951953153586758,0.5507219672091268,1.377318752555175]}]} | false | -42.155825 | -42.155825 | -0.836117 | 0 | true | -0.02054 | 0 | null | null | 7.455109 | false | true | true | FiM | 4.231191 | 0.037628 | 4.231191 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249475 | CeRe3Si2Tc | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.178160433029766,0.040199306937551006,0.0],[-5.9956982326188335,3.947052476153115,0.0],[0.0,0.0,4.104705050936404]],"pbc":[true,true,true],"a":7.178272994710659,"b":7.178274203883204,"c":4.104705050936404,"alpha":90.0,"beta":90.0,"gamma":146.32166195012786,"volume":117.28619542029482},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00020605240283800002,0.999793947599464,0.0],"properties":{"magmom":0.001},"label":"Ce","xyz":[-5.992983727399931,3.946247459679149,0.0]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.304234592106418,0.695765407867256,0.0],"properties":{"magmom":0.0},"label":"Re","xyz":[-1.987754714849789,2.7584525956932415,0.0]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.811500764246581,0.188499235731342,0.5],"properties":{"magmom":0.0},"label":"Re","xyz":[4.694898142763816,0.7766381434483687,2.052352525468202]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.696034463690246,0.30396553633551004,0.0],"properties":{"magmom":0.0},"label":"Re","xyz":[3.1737614183025635,1.2277480259032825,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.410950955600604,0.5890490443795571,0.5],"properties":{"magmom":-0.0},"label":"Si","xyz":[-0.5818884249042952,2.3415274327944253,2.052352525468202]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5892068555394371,0.41079314447851806,0.5],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.7664296069812881,1.645107805336198,2.052352525468202]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.187867316413857,0.8121326836083611,0.5],"properties":{"magmom":0.0},"label":"Tc","xyz":[-3.520760758421209,3.2130824557173105,2.052352525468202]}]} | false | -33.609047 | -33.609047 | -0.525524 | 0 | true | -0.011268 | 0 | null | null | 8.446789 | false | true | false | NM | 0.001023 | 0.000009 | 0.001023 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249476 | Th2UOs2Ru | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.107397154928955,-0.07150595614313701,2.922804976062413],[1.665493871747314,4.064089695131828,2.8847202413822592],[-0.022475306599875,-0.07150593903955,5.884536510700214]],"pbc":[true,true,true],"a":5.885015524876338,"b":5.254741264605241,"c":5.885013864426195,"alpha":57.43049106246683,"beta":60.43273913490245,"gamma":57.43049221996279,"volume":123.82271164069127},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.752095066146623,0.7469441833110151,0.752095066148584],"properties":{"magmom":-0.016},"label":"Th","xyz":[5.068375593711222,2.928089617465638,8.7786830828542]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49790493385337703,0.503055816688984,0.49790493385141504],"properties":{"magmom":-0.016},"label":"Th","xyz":[3.3696440563842693,1.973257632470784,5.836394077326899]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.125],"properties":{"magmom":-0.41400000000000003},"label":"U","xyz":[1.6765489008832064,2.5221795725595566,2.9038678367092405]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":0.029},"label":"Os","xyz":[3.397500542474026,0.4543817469220741,2.9229102040493173]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.625],"properties":{"magmom":0.029},"label":"Os","xyz":[0.8325643117096118,0.4543817554738676,4.403775971368218]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.125],"properties":{"magmom":0.029},"label":"Ru","xyz":[0.8438019650095492,0.49013472499364263,1.4615077160181107]}]} | false | -60.131828 | -60.131828 | -0.417236 | 0 | true | -0.005211 | 0 | null | null | 9.876487 | false | true | true | FM | 0.416926 | 0.003367 | 0.416926 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249477 | ErZn2InNi2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.366243041237917,-0.090874893340255,2.529497564789493],[1.369736687366433,4.146824703862034,2.529497564789491],[1.649036339999999e-8,1.16604467e-8,5.058997077217748]],"pbc":[true,true,true],"a":5.046849955335913,"b":5.046849675545525,"c":5.058997077217748,"alpha":59.9203600772723,"beta":59.920361917058536,"gamma":61.88694313251546,"volume":92.2281429919429},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24386617954070203,0.24386617954001302,0.25613382045834504],"properties":{"magmom":0.0},"label":"Er","xyz":[1.3988114665604516,0.9891089876845581,2.529498063639086]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6271023019399701,0.627102301940595,0.622048848492738],"properties":{"magmom":0.0},"label":"Zn","xyz":[3.5970461019474604,2.543495469987152,6.319450797675086]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6271023019399701,0.627102301940595,0.123745547629084],"properties":{"magmom":0.0},"label":"Zn","xyz":[3.597046093730258,2.543495464176713,3.7985358550379043]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0016940664669960002,0.001694066467109,0.9983059335331741],"properties":{"magmom":-0.0},"label":"In","xyz":[0.009717147376179855,0.006871060206985445,5.058997073919465]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6257006286841571,0.124534521427882,0.6248829249433281],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.9025405290383284,0.45956235933258766,5.058998876119457]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12453452142822301,0.625700628683809,0.6248829249433281],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.4007931043008746,2.5833537701824696,5.058998876119438]}]} | false | -16.797528 | -16.797528 | -0.416084 | 0 | true | -0.019491 | 0 | null | null | 6.373601 | 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-3249478 | YbTmTiIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.835828294781024,-4.3693602e-9,2.791966826674625],[1.61194276484372,3.938096243102614,2.791966820537806],[-2.498625e-10,-8.738719e-9,5.583932654153013]],"pbc":[true,true,true],"a":5.583933564957262,"b":5.089404702325697,"c":5.583932654153013,"alpha":56.730065302270255,"beta":59.999999478921566,"gamma":56.730065417826175,"volume":106.34017481727528},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7502150884120831,0.7493537347637511,0.7502150884121611],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.835826682588396,2.951027117794162,8.375896933846745]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49836868124294403,0.504894956271158,0.49836868124270906],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.2238871416301897,1.9883249239202496,5.583935944248178]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12697567891591802,0.6190739632522331,0.126975678916046],"properties":{"magmom":-0.0},"label":"Ti","xyz":[1.6119443767864643,2.4379728472218574,2.791969487969365]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.627382075149377,0.125559448570953,0.123529738139694],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.2363066352966414,0.4944651888825559,2.79196949443968]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12352973813990001,0.125559448571195,0.12352973813937501],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.7997632475950586,0.4944651910850213,1.3852304839656306]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12352973813977201,0.125559448570697,0.6273820751500091],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.799763247467743,0.49446518668003614,4.198708001468871]}]} | false | -41.353383 | -41.353383 | -1.075676 | 0 | true | -0.003449 | 0 | null | null | 6.311776 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249479 | ErGaCu3Au | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3668545125766745,3.7086591000000004e-9,2.521204328644723],[1.4556181738183571,4.117110147636878,2.521204329574992],[0.030210710601762003,0.021362070100845003,4.990084064190032]],"pbc":[true,true,true],"a":5.042409106844481,"b":5.042409295881536,"c":4.990221236854872,"alpha":59.65343999580641,"beta":59.65343737053879,"gamma":60.00000312682394,"volume":89.24544501830793},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002301105586077,0.002301105586063,0.9930966832418231],"properties":{"magmom":0.0},"label":"Er","xyz":[0.04340028092041241,0.03068850613202639,4.967239047975675]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.622099691783731,0.6220996917840651,0.133699924647665],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.626197633357036,2.5641090633559056,3.804054735494665]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6236765519691471,0.125275082003732,0.6273718140583421],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.9248107997601673,0.5291732743478194,5.018898193289026]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125275082003852,0.6236765519689691,0.627371814058392],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.473846329106555,2.5811470220904336,5.018898193752776]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623676551969197,0.623676551969019,0.627371814058264],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.650293037299639,2.581147023939038,6.2754701372317845]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25297101668799304,0.25297101668815,0.24108794993549001],"properties":{"magmom":0.0},"label":"Au","xyz":[1.480200273400723,1.0466596784899744,2.478632381867909]}]} | false | -21.884931 | -21.884931 | -0.469338 | 0 | true | -0.022056 | 0 | null | null | 7.284628 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249480 | TbZn2Cu2Au | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4001559578987495,-3.7447377000000005e-9,2.540431575929163],[1.479630591032027,4.138264022607435,2.51806767345778],[0.009132293058593,-0.020931675888398,5.065044806618832]],"pbc":[true,true,true],"a":5.080862628118358,"b":5.065096308545173,"c":5.065096289991771,"alpha":60.37729295556635,"beta":59.89697585918952,"gamma":59.89697418180245,"volume":92.28666985624798},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0033153583927330002,0.996684641607352,0.9966846416074021],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.4984151955525415,4.103681914355605,7.56639418562007]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6222242921997031,0.6242145513189421,0.131335864281403],"properties":{"magmom":0.0},"label":"Zn","xyz":[3.6626902695724155,2.5804155380374927,3.817754759493796]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.622224292199554,0.13133586428152402,0.624214551318907],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.9379129991758557,0.5304366230311879,5.073105504800599]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125066673400098,0.62482778391876,0.6248277839188171],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.4805332817428627,2.572623645389141,5.055862692335279]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62527875876237,0.6248277839188461,0.6248277839188461],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.6815444693627497,2.572623643516333,6.326617268651333]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25189062504554,0.24810937495456603,0.24810937495463],"properties":{"magmom":0.0},"label":"Au","xyz":[1.4777340631602542,1.0215487540814112,2.5213521951885243]}]} | false | -20.663555 | -20.663555 | -0.442523 | 0 | true | -0.016576 | 0.2571 | 6.223 | 5.9659 | 6.131037 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249481 | LaNdSbTe | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.364609562039018,-0.005201279635703,6.611289953632745],[1.981615557804183,3.888834727653285,6.611289954754937],[-0.008499455112889001,-0.005201276673198,7.922051156238251]],"pbc":[true,true,true],"a":7.922057720905443,"b":7.922057221692943,"c":7.9220574231743655,"alpha":33.49326091208025,"beta":33.49326670060087,"gamma":33.49326667926719,"volume":134.84532858805403},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49677639649889405,0.496776396498852,0.49677639649887306],"properties":{"magmom":-0.0},"label":"La","xyz":[3.1484325177231987,1.926713558145681,10.504153625583001]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0032472770696680003,0.0032472770697180003,0.0032472770696890005],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.02058035122502403,0.012594343856463621,0.0686624756032464]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748408979228926,0.748408979228919,0.748408979228919],"properties":{"magmom":0.0},"label":"Sb","xyz":[4.743210795373765,2.90265346236445,15.824831751248832]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251567347202509,0.251567347202509,0.251567347202517],"properties":{"magmom":0.0},"label":"Te","xyz":[1.5943648327734623,0.9756868926499734,5.319298744503773]}]} | false | -29.237733 | -29.237733 | -1.666151 | 0 | true | -0.017144 | 0 | null | null | 6.775252 | false | true | false | NM | 0.000455 | 0.000003 | 0.000455 | 0 | 0 | [
"Nd3+",
"La2+",
"Sb3-",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249482 | SrYb(CuSb)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.465809142128066,4.8374399e-9,0.0],[-2.2329050626983262,3.867504695369874,0.0],[0.0,0.0,8.356121323984384]],"pbc":[true,true,true],"a":4.465809142128066,"b":4.465809846795073,"c":8.356121323984384,"alpha":90.0,"beta":90.0,"gamma":120.0000020016305,"volume":144.32306561447945},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Sr","xyz":[0.0,0.0,4.178060661992192]},{"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":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.784707539282628],"properties":{"magmom":0.0},"label":"Cu","xyz":[-2.560660907982324e-6,2.5783377543606107,6.557111402090882]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.21529246071737101],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.2329066400906457,1.2891669458466994,1.7990099218934943]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.234524246177116],"properties":{"magmom":0.0},"label":"Sb","xyz":[-2.560660907982324e-6,2.5783377543606107,1.9597130544719623]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.765475753822883],"properties":{"magmom":0.0},"label":"Sb","xyz":[2.2329066400906457,1.2891669458466994,6.396408269512413]}]} | false | -21.522159 | -21.522159 | -0.725282 | 0.105957 | false | null | 0 | null | null | 5.958923 | false | true | false | NM | 0.000074 | 0.000001 | 0.000074 | 0 | 0 | [
"Cu+",
"Sr2+",
"Sb3-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249483 | ErInNi3Pt | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.338772768054487,0.006323580293765001,2.720411125153429],[1.508376767513964,4.068142567064958,2.720411126853533],[0.009075107880462,0.006323575615202,5.121085014847207]],"pbc":[true,true,true],"a":5.121096153201722,"b":5.121095695049083,"c":5.121096960074493,"alpha":57.81069904802864,"beta":57.81069989745892,"gamma":57.8107051926762,"volume":90.19315632675082},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24910112046076402,0.24910112046027402,0.249101120461887],"properties":{"magmom":0.0},"label":"Er","xyz":[1.4587921203523335,1.0165292923555893,2.6309829343804774]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.008149178083385,0.008149178084522,0.008149178080792],"properties":{"magmom":0.0},"label":"In","xyz":[0.04772341751746451,0.033255082177970935,0.08607086320760689]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6240868129486891,0.6240868129486751,0.120942715723863],"properties":{"magmom":-0.0},"label":"Ni","xyz":[3.650226486679851,2.5435853827803596,4.014903348223696]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6240868129483981,0.12094271572185201,0.6240868129493721],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.895861706671601,0.49990513322859736,5.22278824432676]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.120942715722748,0.624086812948192,0.624086812949173],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.4717646661895876,2.5435853804243993,5.222788245183015]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623634359835989,0.6236343598364651,0.623634359834895],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.6521429065737143,2.544920686514056,6.586768277007373]}]} | false | -24.55959 | -24.55959 | -0.570108 | 0 | true | -0.001131 | 0 | null | null | 8.124742 | false | true | false | NM | 0.000097 | 0.000001 | 0.000097 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249484 | DyYUP3 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.175732244421574,-0.001421189117339,-4.657930700030505],[-0.5162267223447851,3.787786268360556,-5.819853930777578],[0.007831159913979,0.0014211919407320001,6.9630787985716545]],"pbc":[true,true,true],"a":6.963082987586056,"b":6.963082264287192,"c":6.963083347337601,"alpha":146.6979347235513,"beta":131.92137834118765,"gamma":59.7417881247287,"volume":136.6874983084271},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33379908884507603,0.333799088843854,0.9999999999985291],"properties":{"magmom":0.038},"label":"Dy","xyz":[1.5631698576524307,1.265306405422301,3.465603835689845]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6662236377496521,0.6662236377506541,1.1937e-12],"properties":{"magmom":0.036000000000000004},"label":"Y","xyz":[3.1042727190320822,2.522565916945463,-6.980547792291876]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0000383563482487,0.0000383563484334,2.345e-13],"properties":{"magmom":2.342},"label":"U","xyz":[0.00017872161637800735,0.0001452311382761068,-0.00040188955561623645]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49951001402524003,0.9995100140257801,0.50000000000066],"properties":{"magmom":-0.046},"label":"P","xyz":[2.073271887467583,3.7859310039901493,-4.6621459139898995]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.165459199412424,0.6654591994074011,0.49999999999391703],"properties":{"magmom":-0.044},"label":"P","xyz":[0.5167602721277366,2.5210926648263516,-1.1620334227453906]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8349697036193571,0.334969703623869,0.5000000000054571],"properties":{"magmom":-0.044},"label":"P","xyz":[4.152574885908309,1.2683175898175785,-2.3571663630869244]}]} | false | -28.225852 | -28.225852 | -1.68524 | 0 | true | -0.028625 | 0 | null | null | 6.356765 | false | true | true | FM | 2.592425 | 0.018966 | 2.592425 | 1 | 1 | [
"P3-",
"Y3+",
"Dy3+",
"U3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249485 | DyZn2Cu2Pd | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.337447515917291,-0.018369891203542002,2.527995055043832],[1.428497015994609,4.095507940742826,2.527995055043831],[7.5436171e-9,5.3341422e-9,5.055991086937989]],"pbc":[true,true,true],"a":5.0204130711093855,"b":5.020413131976204,"c":5.055991086937989,"alpha":59.76530338513272,"beta":59.765302980275514,"gamma":60.23784168415101,"volume":89.94755806656995},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24682687982432502,0.24682687982433202,0.253173120175738],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.423190099961794,1.006347264731306,2.527995302356413]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6287580838368001,0.628758083836736,0.6257901686192321],"properties":{"magmom":-0.0},"label":"Zn","xyz":[3.6253842401148315,2.5635335109042203,6.342984168348628]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6287580838362671,0.628758083836196,0.11669366370808301],"properties":{"magmom":-0.0},"label":"Zn","xyz":[3.625384236271319,2.5635335081864254,3.768996777123863]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625383689373677,0.12448861960758201,0.6250638455092451],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.8904005563190074,0.4983559031348805,5.0559907206808505]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12448861960755402,0.625383689373691,0.6250638455092521],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.4333215927140175,2.5589770267769065,5.05599072068085]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9957846435213751,0.9957846435214741,0.004215356478432001],"properties":{"magmom":0.0},"label":"Pd","xyz":[5.741639020305855,4.059951459270802,5.055990114204711]}]} | false | -16.224018 | -16.224018 | -0.481175 | 0 | true | -0.012369 | 0 | null | null | 5.437135 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249486 | Ce2GePdI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.423773402161245,-3.7290375e-9,0.0],[-2.211887207541237,3.8310999315873753,0.0],[0.0,0.0,11.894156835258448]],"pbc":[true,true,true],"a":4.423773402161245,"b":4.423773468962144,"c":11.894156835258448,"alpha":90.0,"beta":90.0,"gamma":120.00000712311967,"volume":201.58119436781868},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.157387029357551],"properties":{"magmom":0.9520000000000001},"label":"Ce","xyz":[0.0,0.0,1.8719860110141373]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.844738007047467],"properties":{"magmom":1.032},"label":"Ce","xyz":[0.0,0.0,10.047446340526228]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.010317504953263001],"properties":{"magmom":-0.035},"label":"Ge","xyz":[2.2118887441472634,1.2770320310098,0.12271802206266602]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9912364004142301],"properties":{"magmom":-0.045},"label":"Pd","xyz":[-2.5495272572756647e-6,2.554067896848534,11.789921207343895]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.664549420116408],"properties":{"magmom":-0.013000000000000001},"label":"I","xyz":[2.2118887441472634,1.2770320310098,7.904255027644613]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.33177063811107305],"properties":{"magmom":-0.014},"label":"I","xyz":[-2.5495272572756647e-6,2.554067896848534,3.9461320030268765]}]} | false | -25.918428 | -25.918428 | -1.313252 | 0 | true | -0.037793 | 0 | null | null | 5.235792 | false | true | true | FM | 2.026361 | 0.010052 | 2.026361 | 2 | 2 | [
"Ce2+",
"I-",
"Ge4-",
"Pd2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249487 | NdZn3CdIr | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.671674746290077,-2.1185735000000003e-9,2.604127116495616],[1.6100296216677101,4.385469522506072,2.6041271157524792],[0.11776227118920701,0.082213857054031,5.281180539078343]],"pbc":[true,true,true],"a":5.348459869344841,"b":5.348459250146198,"c":5.283133062600937,"alpha":59.590107298284465,"beta":59.59011137310173,"gamma":59.99999324471471,"volume":106.19775204277856},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7470453481864681,0.7470453481863111,0.7588649554407141],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.7820836874438255,3.3385338197882497,7.8985049308350685]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37176043043793006,0.880923397522074,0.37555574160175803],"properties":{"magmom":0.0},"label":"Zn","xyz":[3.1992828760666754,3.8941385967638222,5.245525598017869]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.371760430438619,0.371760430437781,0.37555574160252503],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.3795154168080512,1.661219922626956,3.919600509102519]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8809233975213571,0.371760430437568,0.37555574160237604],"properties":{"magmom":0.0},"label":"Zn","xyz":[4.7581591918742445,1.6612199215473105,5.2455255983967]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0023228570042370003,0.002322857004763,0.9930324289869],"properties":{"magmom":0.0},"label":"Cd","xyz":[0.13153325519253606,0.09182784476135293,5.256481568463907]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37618853641139005,0.376188536411497,0.8714333907657301],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.4657271476379323,1.721407260572326,6.561482601303144]}]} | false | -21.862046 | -21.862046 | -0.426353 | 0 | true | -0.001863 | 0 | null | null | 4.316766 | 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-3249488 | TmPa(CoSi2)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.372226652943182,-0.019504712479099,0.0],[-7.436916029553914,3.845367173217929,0.0],[0.0,0.0,3.9263782576127633]],"pbc":[true,true,true],"a":8.372249372902187,"b":8.372249920272209,"c":3.9263782576127633,"alpha":90.0,"beta":90.0,"gamma":152.79158988383722,"volume":125.8374023152378},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39270472403405404,0.607295275963032,0.75],"properties":{"magmom":0.0},"label":"Tm","xyz":[-1.2285910151872363,2.3276137259070984,2.9447836932095726]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6096766481017181,0.39032335190201906,0.25],"properties":{"magmom":-0.0},"label":"Pa","xyz":[2.201549090444926,1.489045036617969,0.9815945644031908]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.821982450432429,0.17801754956673901,0.25],"properties":{"magmom":0.0},"label":"Co","xyz":[5.55792181184714,0.6685103100020839,0.9815945644031908]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17421342192139302,0.825786578077192,0.75],"properties":{"magmom":0.0},"label":"Co","xyz":[-4.682751185182021,3.1720546167174217,2.9447836932095726]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.958346015041961,0.041653984956326,0.25],"properties":{"magmom":-0.0},"label":"Si","xyz":[7.713712861459694,0.1414826029058857,0.9815945644031908]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.039311809672995,0.9606881903287531,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-6.815430021339367,3.69343206524362,2.9447836932095726]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252226172092477,0.7477738279082821,0.25],"properties":{"magmom":-0.0},"label":"Si","xyz":[-3.4494364866895233,2.870545331863653,0.9815945644031908]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7515397587029821,0.24846024129766403,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[4.444283247346163,0.9407622888257298,2.9447836932095726]}]} | false | -22.429302 | -22.429302 | -0.736729 | 0 | true | -0.052868 | 0 | null | null | 9.475463 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [
"Tm3+",
"Co4+",
"Pa5+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249489 | KGdH6Ru | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4969639250666145,-4.4416936e-9,2.5963228796759292],[1.498989298267699,4.239780035500523,2.596322879675932],[5.0984122e-9,3.6051226000000005e-9,5.192647741670897]],"pbc":[true,true,true],"a":5.192646438847849,"b":5.192648280143633,"c":5.192647741670897,"alpha":60.00001600243106,"beta":60.00000427247046,"gamma":60.00000006127021,"volume":99.00373770272188},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.002},"label":"K","xyz":[4.496964921324544,3.179835025997964,7.788970125767069]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":6.928},"label":"Gd","xyz":[1.4989883071081815,1.059945008665988,2.5963233752556896]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.766995280743564,0.7669952807431031,0.23300471925679],"properties":{"magmom":-0.006},"label":"H","xyz":[4.598867827043843,3.25189127605098,5.192646221242193]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23300471925638502,0.7669952807432591,0.23300471925679],"properties":{"magmom":-0.006},"label":"H","xyz":[2.197531535710167,3.251891278423464,3.8062343089224395]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7669952807434861,0.23300471925661903,0.23300471925655503],"properties":{"magmom":-0.006},"label":"H","xyz":[3.7984216899992926,0.9878887543148702,3.8062343089224147]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.233004719256435,0.23300471925689603,0.7669952807432091],"properties":{"magmom":-0.006},"label":"H","xyz":[1.3970854013888776,0.9878887586129685,5.192647279780556]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.766995280743614,0.23300471925674002,0.7669952807432091],"properties":{"magmom":-0.006},"label":"H","xyz":[3.7984216927225534,0.9878887562404846,6.57905919210031]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.233004719256513,0.7669952807433801,0.766995280743444],"properties":{"magmom":-0.006},"label":"H","xyz":[2.1975315384334277,3.2518912803490783,6.579059192100334]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.07200000000000001},"label":"Ru","xyz":[0.0,0.0,0.0]}]} | false | -11.104096 | -11.104096 | -0.485154 | 0 | true | -0.06255 | 2.384 | 3.6619 | 1.2779 | 1.38376 | false | false | true | FiM | 7 | 0.070704 | 7 | 2 | 2 | [
"K+",
"Ru2+",
"H-",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249490 | Nd3Gd(C2Br)2 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.714362573176358,0.042545211473825006,1.5216636692961731],[6.553916562303736,4.025004024184544,1.512042996782096],[-0.003655057591551,0.006637802704537001,6.695408949069793]],"pbc":[true,true,true],"a":7.863120266656196,"b":7.838415255933994,"c":6.6954132370716755,"alpha":78.87476580055717,"beta":78.87274551203532,"gamma":30.63644179988034,"volume":206.0387166791515},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8516655453314491,0.45359305484771506,0.34526405502516105],"properties":{"magmom":-0.011},"label":"Nd","xyz":[9.541605882475741,1.8642399565135364,4.293484764501253]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5385153413086881,0.15079207208605502,0.15565150929742],"properties":{"magmom":-0.032},"label":"Nd","xyz":[5.142012337551236,0.6308831300487542,2.089593835082206]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15122965771476501,0.5420390564237391,0.6549401750008951],"properties":{"magmom":0.004},"label":"Nd","xyz":[4.716725316681439,2.1924908448042624,5.434799343918873]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46755063960340904,0.849670586039422,0.8429558576296611],"properties":{"magmom":6.947},"label":"Gd","xyz":[9.172444229360524,3.4454149435481423,7.6401274738777785]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36115534660214604,0.079167965193306,0.47647781016114205],"properties":{"magmom":-0.01},"label":"C","xyz":[3.3032019733771896,0.337179574782589,3.859476131422668]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.912716099000853,0.639049665182803,0.026009196596518003],"properties":{"magmom":-0.003},"label":"C","xyz":[11.229206033732469,2.611181817377635,2.52925970671737]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.640386432110936,0.913612627812845,0.5302181759468281],"properties":{"magmom":-0.012},"label":"C","xyz":[10.92597607922982,3.70805936331394,5.905901863903367]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08602718825503,0.35497874773708504,0.9699266920835251],"properties":{"magmom":-0.031},"label":"C","xyz":[2.986600877490974,1.4388891150784808,7.161703430579415]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21952516687579002,0.7830759433659791,0.24430513442142401],"properties":{"magmom":-0.003},"label":"Br","xyz":[6.82481817664858,3.162845217220726,3.1538107503550323]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7712275831969321,0.23401728131104702,0.754251393837428],"properties":{"magmom":-0.005},"label":"Br","xyz":[7.480502106782449,0.979739111569166,6.577414717589698]}]} | false | -20.765017 | -20.765017 | -0.969244 | 0 | true | -0.106255 | 0 | null | null | 4.721479 | false | true | true | FM | 7.007922 | 0.034013 | 7.007922 | 1 | 1 | [
"Nd3+",
"C2-",
"Br-",
"C3-",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249491 | Np3Sn2BiRh3 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.605581166804796,0.0,0.0],[-3.8027905834023983,6.4878530978734235,0.0],[0.0,0.0,4.026036927926104]],"pbc":[true,true,true],"a":7.605581166804796,"b":7.520203058481847,"c":4.026036927926104,"alpha":90.0,"beta":90.0,"gamma":120.3762757310621,"volume":198.66033673106452},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5980482702363611,0.0,0.5],"properties":{"magmom":3.583},"label":"Np","xyz":[4.5485046609498525,0.0,2.013018463963052]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40946168765623203,0.42189490022331405,0.5],"properties":{"magmom":3.823},"label":"Np","xyz":[1.509816146411633,2.737192135390827,2.013018463963052]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.987566787432925,0.578105099776685,0.5],"properties":{"magmom":3.823},"label":"Np","xyz":[5.312606729814088,3.7506609624825904,2.013018463963052]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7436686615579331,0.745354279212165,0.0],"properties":{"magmom":-0.053},"label":"Sn","xyz":[2.8216061324012425,4.835749069399857,0.0]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9983153823457721,0.25464572078783404,0.0],"properties":{"magmom":-0.053},"label":"Sn","xyz":[6.624404321384842,1.65210402847356,0.0]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25795863424787,0.0,0.0],"properties":{"magmom":-0.063},"label":"Bi","xyz":[1.9619253304502868,0.0,0.0]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9893292842247301,0.0,0.5],"properties":{"magmom":-0.035},"label":"Rh","xyz":[7.524424171868076,0.0,2.013018463963052]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.337366310159254,0.659080328020323,0.0],"properties":{"magmom":-0.242},"label":"Rh","xyz":[0.05952238976019927,4.2760163478940845,0.0]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6782859821389301,0.34091967197967604,0.0],"properties":{"magmom":-0.242},"label":"Rh","xyz":[3.8623129731625943,2.2118367499793328,0.0]}]} | false | -48.452431 | -48.452431 | -0.73288 | 0 | true | -0.126384 | 0 | null | null | 10.826647 | false | true | true | FiM | 11.138971 | 0.05607 | 11.138971 | 5 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249492 | Tm2PPtRh5 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.103737904743743,7.242646e-10,2.946644850313426],[1.7017427179215852,4.811148802288614,2.94578437671869],[0.00049675127973,-0.000702821907927,5.89242922306762]],"pbc":[true,true,true],"a":5.893289104922368,"b":5.8924296066972435,"c":5.892429285921193,"alpha":60.009665015347736,"beta":59.99516666781746,"gamma":59.99517291491956,"volume":144.68767156694386},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250992751354409,0.24900724864559,0.249007248645597],"properties":{"magmom":0.0},"label":"Tm","xyz":[1.704871185665168,1.197835918514618,2.9403657496693336]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750992751354409,0.7490072486455901,0.7490072486455971],"properties":{"magmom":0.0},"label":"Tm","xyz":[5.107859872637697,3.6030589090670944,8.832794974719203]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49384292882067604,0.5061570711790601,0.506157071179373],"properties":{"magmom":0.0},"label":"P","xyz":[3.382045418988086,2.4348412488522437,5.928704033197765]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.767411487135341,0.23258751286498103,0.23258751286459703],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.312586739870545,1.1188496669038988,4.316947225980207]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23666865278689603,0.763330347212949,0.23381271302969903],"properties":{"magmom":-0.001},"label":"Rh","xyz":[2.507002780595723,3.6723315572184734,4.323709941041203]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.766186286970693,0.7633303472129711,0.23381271302953602],"properties":{"magmom":-0.001},"label":"Rh","xyz":[5.209522001409836,3.672331557602091,5.884010350958142]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23666865278670401,0.23381271302983403,0.7633303472130201],"properties":{"magmom":-0.001},"label":"Rh","xyz":[1.6061630411749814,1.1243712691337415,5.884010348858406]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7661862869705011,0.233812713029856,0.7633303472128571],"properties":{"magmom":-0.001},"label":"Rh","xyz":[4.3086822619890945,1.124371269517358,7.4443107587753445]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23104720182035202,0.768951798179173,0.768951798179735],"properties":{"magmom":-0.001},"label":"Rh","xyz":[2.488144462489421,3.6990010868248433,7.476974287673884]}]} | false | -28.92408 | -28.92408 | -0.989299 | 0 | true | -0.082454 | 0 | null | null | 8.586655 | false | true | false | NM | 0.004566 | 0.000032 | 0.004566 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249493 | Nd6Al2CO | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.136914831466668,1.3151647e-9,3.543149021347405],[2.045637613475419,5.785937768243162,3.543149021347405],[-1.5096159000000001e-9,-1.0674594e-9,7.086297047929415]],"pbc":[true,true,true],"a":7.086298655585343,"b":7.08629762930708,"c":7.086297047929415,"alpha":59.999998082459655,"beta":60.00000287325599,"gamma":60.000002472685594,"volume":251.6188701032503},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7492035659195081,0.250796434080491,0.250796434080491],"properties":{"magmom":0.0},"label":"Nd","xyz":[5.110837093981099,1.4510925608046306,5.32036705180321]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7492035659195081,0.250796434080491,0.7492035659195081],"properties":{"magmom":0.0},"label":"Nd","xyz":[5.110837093228696,1.451092560272601,8.852228038821004]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250796434080491,0.7492035659195081,0.250796434080491],"properties":{"magmom":0.0},"label":"Nd","xyz":[3.0717153502037675,4.334845208218261,5.32036705180321]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250796434080491,0.250796434080491,0.7492035659195081],"properties":{"magmom":0.0},"label":"Nd","xyz":[2.052154973737069,1.4510925596171136,7.086297297413022]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7492035659195081,0.7492035659195081,0.250796434080491],"properties":{"magmom":0.0},"label":"Nd","xyz":[6.130397469695395,4.334845208873749,7.08629779321119]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250796434080491,0.7492035659195081,0.7492035659195081],"properties":{"magmom":0.0},"label":"Nd","xyz":[3.0717153494513645,4.334845207686231,8.852228038821004]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Al","xyz":[6.136914332574354,4.339453326368151,10.629446317968169]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Al","xyz":[2.0456381108581176,1.446484442122717,3.543148772656056]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"C","xyz":[4.091276221716235,2.892968884245434,7.086297545312112]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"O","xyz":[0.0,0.0,0.0]}]} | false | -21.51587 | -21.51587 | -0.926668 | 0 | true | -0.03993 | 0 | null | null | 4.176302 | false | true | false | NM | 0.000024 | 0 | 0.000024 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249494 | Li3Ho3InSn2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.404048787945761,-2.4675280000000002e-9,0.0],[-3.702024898250471,6.412096065256443,0.0],[0.0,0.0,4.457921036919373]],"pbc":[true,true,true],"a":7.404048787945761,"b":7.404050533143569,"c":4.457921036919373,"alpha":90.0,"beta":90.0,"gamma":119.99999672793125,"volume":211.6419057722317},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.242148809627408,0.999999999999936,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[-1.9091432978259155,6.412096064658524,2.2289605184596866]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7578511903724411,0.757851190372228,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[2.8055832115935786,4.859414633965656,2.2289605184596866]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[1.492e-13,0.24214880962782803,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[-0.8964409223228281,1.5526814294211275,2.2289605184596866]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[9.24e-14,0.5628672865835821,0.0],"properties":{"magmom":-0.0},"label":"Ho","xyz":[-2.0837487093424203,3.609159113564157,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5628672865833191,0.999999999999964,0.0],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.46547195275120495,6.412096063867321,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43713271341658805,0.43713271341645304,0.0],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.6182757480360332,2.8029369506138737,0.0]},{"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":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-4.038209585451292e-6,4.274732846713783,2.2289605184596866]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":-0.0},"label":"Sn","xyz":[3.7020279279048713,2.137363216075126,2.2289605184596866]}]} | false | -20.418956 | -20.418956 | -0.655055 | 0 | true | -0.006996 | 0 | null | null | 4.268969 | false | true | false | NM | 0.000274 | 0.000001 | 0.000274 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249495 | Pr2SiPdI | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.33049973088981,-1.5220300000000002e-9,0.0],[-2.165249368066078,3.750321698837022,0.0],[0.0,0.0,16.96823590367369]],"pbc":[true,true,true],"a":4.33049973088981,"b":4.330498547589914,"c":16.96823590367369,"alpha":90.0,"beta":90.0,"gamma":120.00000146037067,"volume":275.577167481849},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.609647713770328],"properties":{"magmom":0.14100000000000001},"label":"Pr","xyz":[0.0,0.0,10.34464622539026]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.393120944421035],"properties":{"magmom":0.20600000000000002},"label":"Pr","xyz":[0.0,0.0,6.670568923611116]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.109647713770328],"properties":{"magmom":0.14100000000000001},"label":"Pr","xyz":[0.0,0.0,1.8605282735534157]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8931209444210351],"properties":{"magmom":0.20600000000000002},"label":"Pr","xyz":[0.0,0.0,15.154686875447961]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5098705369417821],"properties":{"magmom":-0.021},"label":"Si","xyz":[2.165252196487523,1.2501059818237652,8.65160355116093]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.009870536941782],"properties":{"magmom":-0.021},"label":"Si","xyz":[-1.8336637931414293e-6,2.500215715491223,0.16748559932408286]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.989131905793975],"properties":{"magmom":0.062},"label":"Pd","xyz":[2.165252196487523,1.2501059818237652,16.78382351736251]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.48913190579397503],"properties":{"magmom":0.062},"label":"Pd","xyz":[-1.8336637931414293e-6,2.500215715491223,8.299705565525665]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.24822989907287502],"properties":{"magmom":0.006},"label":"I","xyz":[2.165252196487523,1.2501059818237652,4.2120234858136545]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7482298990728751],"properties":{"magmom":0.006},"label":"I","xyz":[-1.8336637931414293e-6,2.500215715491223,12.6961414376505]}]} | false | -24.193265 | -24.193265 | -1.173102 | 0 | true | -0.027202 | 0 | null | null | 6.209146 | false | true | true | FM | 1.898054 | 0.006888 | 0.949027 | 4 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249496 | Ac2B4Ir3Os | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.995470950870061,-0.02631749105716,3.959602965102079],[3.682232753212908,4.694782208743511,1.73446742426947],[0.029002324769062,-0.059190737627836006,5.6940703861576845]],"pbc":[true,true,true],"a":7.1850414177169135,"b":6.2135493304729215,"c":5.694451882383489,"alpha":74.08037914092104,"beta":56.2658081568886,"gamma":49.792000333713986,"volume":160.03729368461114},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.998790369676768,0.9987903696772661,0.0012096303230320002],"properties":{"magmom":0.0},"label":"Ac","xyz":[9.66603234231657,4.6627460022921605,5.694070389367386]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25124942617456003,0.251249426174155,0.24875057382560303],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.438731847265349,1.1582253514828889,2.84703519388655]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32575220285232104,0.6829570672405361,0.332810030445628],"properties":{"magmom":-0.0},"label":"B","xyz":[4.47749701600374,3.1780624367390793,4.369459912182596]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.56889432208969,0.9248094760222331,0.578661797348146],"properties":{"magmom":-0.0},"label":"B","xyz":[6.832935662672527,4.292555784650439,7.151588558273212]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6829570672405011,0.325752202853337,0.6584806994611511],"properties":{"magmom":-0.0},"label":"B","xyz":[5.3132421592095795,1.472385971590529,7.01868086337418]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.92480947602354,0.56889432208942,0.9276334045392071],"properties":{"magmom":-0.0},"label":"B","xyz":[7.666373179768089,2.5915889714228872,9.930616910930603]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.880365928707718,0.8803659287073621,0.619634071292409],"properties":{"magmom":0.0},"label":"Ir","xyz":[8.537891437775414,4.073280679084351,8.54110558206601]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.617087721658897,0.617087721658911,0.8829122783411231],"properties":{"magmom":0.0},"label":"Ir","xyz":[5.997598638281521,2.828592027266398,8.541105581219902]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36760226825548803,0.36760226825491304,0.632397731744745],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.5758868375226,1.678706131273378,5.694070387339438]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.632491217320513,0.6324912173218631,0.36750878267895304],"properties":{"magmom":0.0},"label":"Os","xyz":[6.131721205738383,2.9310098163821685,5.694070388189727]}]} | false | -38.405151 | -38.405151 | -0.732785 | 0 | true | -0.42733 | 0 | null | null | 8.205336 | 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-3249497 | Ho3Pa(HgPd2)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.728013981140195,-0.030963868537565,0.0],[-0.20068450724406703,7.725469509841348,0.0],[0.0,0.0,3.598172156940649]],"pbc":[true,true,true],"a":7.728076012427229,"b":7.7280756607926735,"c":3.598172156940649,"alpha":90.0,"beta":90.0,"gamma":91.71760373794248,"volume":214.79764518262138},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.322345010013435,0.82234501001308,0.5],"properties":{"magmom":-0.0},"label":"Ho","xyz":[2.3260548410155097,6.3430202529124315,1.7990860784703244]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.175776619582443,0.32865151109677204,0.5],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.292448907131207,2.5335445042006697,1.7990860784703244]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.828651511096914,0.675776619582656,0.5],"properties":{"magmom":-0.0},"label":"Ho","xyz":[6.268212565341894,5.195033413596406,1.7990860784703244]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6708575702443791,0.170857570244507,0.5],"properties":{"magmom":-0.001},"label":"Pa","xyz":[5.150108214908864,1.299182603837038,1.7990860784703244]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.007262370979930001,0.9996623924425021,0.0],"properties":{"magmom":0.0},"label":"Hg","xyz":[-0.14449305016862282,7.722636461849312,0.0]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49966239244248106,0.5072623709801151,0.0],"properties":{"magmom":0.0},"label":"Hg","xyz":[3.759598255681851,3.9033684998639555,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12044901235928701,0.62044901235911,0.0],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.8063171472117421,4.789530360007309,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.862439857871912,0.36243985787172706,0.0],"properties":{"magmom":0.0},"label":"Pd","xyz":[6.5922112152441015,2.773313596758557,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.630774379448325,0.881781275961216,0.0],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.6976733824583645,6.792643146825272,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.381781275960875,0.130774379448304,0.0],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.9241666464634535,0.9984720558573392,0.0]}]} | false | -37.390621 | -37.390621 | -0.782873 | 0 | true | -0.038655 | 0 | null | null | 6.585824 | false | true | false | NM | 0.00034 | 0.000002 | 0.00034 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249498 | TbSn5SbRu4 | 23 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.916072971958611,0.0028360776758630003,-3.569219681928225],[-1.9444778242558851,5.6450843557931485,-3.477252565838114],[0.010045575805303,-0.002836068636035,6.909352689994675]],"pbc":[true,true,true],"a":6.909360071000758,"b":6.909360086120219,"c":6.9093605747286935,"alpha":120.2657158698769,"beta":121.01965860534685,"gamma":88.89166455473078,"volume":230.91217489185692},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46418724510004206,0.466478765198424,0.34508209363305903],"properties":{"magmom":0.0},"label":"Sn","xyz":[1.8425745485803262,2.6336497743119676,-0.8945568425937556]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5358127548975911,0.8808948485309781,0.002291520096662],"properties":{"magmom":0.0},"label":"Sn","xyz":[1.4570498784494292,4.974238836225333,-4.959694382352538]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8786033284318501,0.533521234798492,0.997708479899259],"properties":{"magmom":0.0},"label":"Sn","xyz":[4.170483750739679,3.0114345936023668,1.9024033943436605]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12139667157050801,0.119105151472098,0.6549179063710181],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.49317326924658644,0.6708455255262424,3.6776087150593506]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.963059273881957,4.519914000153044e-9,1.670066504033225]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-0.967216124225291,2.821124143578557,1.7160500620782804]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39923928594219404,0.403258816265996,0.649048868577708],"properties":{"magmom":-0.0},"label":"Ru","xyz":[1.5843209928524058,2.275721561525599,1.6573020753037624]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75421094769004,0.7501914173660531,0.350951131424921],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.00676193396364,4.236037513358414,-2.8757044457594167]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24578905231035703,0.596741183733634,0.9959804696748541],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.3037611678950864,3.366526728624303,3.929285401942448]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.600760714057408,0.249808582634322,0.004019530322523],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.068437352304911,1.4118829261576655,-2.985122147030095]}]} | false | -26.05327 | -26.05327 | -0.384014 | 0 | true | -0.017981 | 0.1715 | 8.9915 | 8.82 | 8.820729 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249499 | CeSn6Ru3Rh | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.990395115506489,-0.032120116255856,-3.46700084164103],[-2.012042828603818,5.655760270691723,-3.473614115240743],[0.018325793979196002,0.016593312382724,6.912729107278598]],"pbc":[true,true,true],"a":6.921413163342577,"b":6.935555897350312,"c":6.912773313465267,"alpha":119.97684054136008,"beta":119.90893452197145,"gamma":90.2286546855901,"volume":234.5805792382863},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002016867066906,0.9921664380606501,7.1e-15],"properties":{"magmom":-0.051000000000000004},"label":"Ce","xyz":[-1.9841995358551054,5.611390740292483,-3.4533958237339966]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5015979076226881,0.0027250747449010003,0.49890599186571105],"properties":{"magmom":-0.0},"label":"Sn","xyz":[3.008429537095256,0.007579489342982102,1.700295745773587]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5297943279555141,0.877447688181739,0.999999999999694],"properties":{"magmom":0.001},"label":"Sn","xyz":[1.4265408199058776,4.962210031405673,2.028017051304625]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11774143444969801,0.124128614278738,0.649892920796304],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.4674754294111851,0.7090436927811422,3.6531491512058922]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.467848513653464,0.474234693482706,0.35010707920415],"properties":{"magmom":-0.0},"label":"Sn","xyz":[1.8548329270938266,2.6729398258671146,-0.8491441187366383]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8787320180179421,0.529510821538536,1.492e-13],"properties":{"magmom":0.001},"label":"Sn","xyz":[4.198553537429115,2.9665612927825107,-4.885880909913076]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002691915757097,0.503819082879147,0.5010940081341101],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-0.9883969880607963,2.857708297327232,1.7045211834994285]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24643671803761402,0.597758427653843,8.529999999999999e-14],"properties":{"magmom":0.004},"label":"Ru","xyz":[0.2735377544155654,3.3728627905626793,-2.930778420649573]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40554241746024605,0.40447379304811104,0.6545532186949781],"properties":{"magmom":0.01},"label":"Ru","xyz":[1.6275359294581384,2.2854419456909114,1.7137473077029761]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7509881987658531,0.749919574353029,0.345446781304907],"properties":{"magmom":0.01},"label":"Ru","xyz":[2.996176322628313,4.222975612942573,-2.8206279158095704]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5966086812129561,0.24381579177858,0.9999999999999001],"properties":{"magmom":0.001},"label":"Rh","xyz":[3.101679708437601,1.3763938406914478,3.9973643315415703]}]} | false | -25.848074 | -25.848074 | -0.418295 | 0.008243 | false | null | 0 | null | null | 9.49294 | false | true | true | FM | 0.005091 | 0.000022 | 0.005091 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-32495 | Li3V3(PO4)4 | 14 | Monoclinic | 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mp-3249500 | LiAcAs2O7 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.145382935621065,-0.046165605046909,0.8356176759449521],[-1.6094362585515531,5.931069857953886,0.8356176723470611],[-0.049495392909953,-0.06421480326831501,5.260674895842955]],"pbc":[true,true,true],"a":6.202106060755779,"b":6.202107031050679,"c":5.261299620305841,"alpha":82.79125101066901,"beta":82.79125130108018,"gamma":104.24630120577035,"volume":192.0171959434536},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.162782508922859,0.837217491078391,0.9999999999998431],"properties":{"magmom":0.0},"label":"Li","xyz":[-0.3965827267929478,4.893865669603039,6.096292568775909]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6341963734181341,0.36580362657980403,3.126e-13],"properties":{"magmom":-0.0},"label":"Ac","xyz":[3.3086419509093608,2.140328804240271,0.8356176746287519]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.780005384103148,0.838968964448056,0.408308889178137],"properties":{"magmom":-0.0},"label":"As","xyz":[3.4229552970793913,4.913754641308403,3.5008239025812795]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16103103555504802,0.219994615898869,0.591691110822239],"properties":{"magmom":-0.0},"label":"As","xyz":[0.6062440824801459,1.2593740118051346,3.4310863413478017]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6158642647796241,0.677508422966397,0.673121592303289],"properties":{"magmom":-0.0},"label":"O","xyz":[2.6609987043520893,3.9466936689301377,4.621838939507154]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6753812510413221,0.043932636641479006,0.28408755207304603],"properties":{"magmom":0.0},"label":"O","xyz":[4.065708611832498,0.21114552660570773,2.0955636523545174]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.045490502346851,0.9545094976390011,0.500000000001371],"properties":{"magmom":0.0},"label":"O","xyz":[-1.2814133342319127,5.627055012378409,3.4659551204275987]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.304181788508323,0.133133049067026,0.821399837009195],"properties":{"magmom":-0.0},"label":"O","xyz":[1.6143889083768077,0.7228326491700244,4.686545509755727]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.866866950921632,0.6958182114726761,0.17860016299525902],"properties":{"magmom":-0.0},"label":"O","xyz":[4.198514423501811,4.075458209066076,2.245364734992733]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.322491577020862,0.38413573523273203,0.326878407696973],"properties":{"magmom":-0.0},"label":"O","xyz":[1.347413278593872,2.2424574291831902,2.3100713044070824]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.956067363382167,0.324618748975581,0.715912447920338],"properties":{"magmom":0.0},"label":"O","xyz":[5.317512507527104,1.8352268720790843,4.836346594051413]}]} | false | -15.024986 | -15.024986 | -2.093442 | 0 | true | -0.084628 | 4.2076 | 3.9475 | -0.2601 | -0.227557 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
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mp-3249501 | Pr2GaRhI | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.331230773157155,0.0,0.0],[-2.165615386578577,3.7509560199540632,0.0],[0.0,0.0,17.359740053126977]],"pbc":[true,true,true],"a":4.331230773157155,"b":4.331230895047677,"c":17.359740053126977,"alpha":90.0,"beta":90.0,"gamma":119.99999906906233,"volume":282.03078346830586},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.39540899880744],"properties":{"magmom":-0.006},"label":"Pr","xyz":[0.0,0.0,6.864197433964353]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8954089988074401],"properties":{"magmom":-0.006},"label":"Pr","xyz":[0.0,0.0,15.544067460527843]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.607132210711618],"properties":{"magmom":0.039},"label":"Pr","xyz":[0.0,0.0,10.539657355834004]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.107132210711618],"properties":{"magmom":0.039},"label":"Pr","xyz":[0.0,0.0,1.859787329270514]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.503079666124421],"properties":{"magmom":0.029},"label":"Ga","xyz":[-2.1656153645436875e-6,2.5006385969547007,8.733332229933858]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0030796661244210004],"properties":{"magmom":0.029},"label":"Ga","xyz":[2.16561755219394,1.2503174229993592,0.05346220337036957]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.496054193425123],"properties":{"magmom":0.07100000000000001},"label":"Rh","xyz":[2.16561755219394,1.2503174229993592,8.611371850123705]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9960541934251311],"properties":{"magmom":0.07100000000000001},"label":"Rh","xyz":[-2.1656153645436875e-6,2.5006385969547007,17.291241876687334]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.24832393093139102],"properties":{"magmom":0.001},"label":"I","xyz":[-2.1656153645436875e-6,2.5006385969547007,4.310838889939606]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.748323930931391],"properties":{"magmom":0.001},"label":"I","xyz":[2.16561755219394,1.2503174229993592,12.990708916503095]}]} | false | -24.884229 | -24.884229 | -1.095109 | 0 | true | -0.048567 | 0 | null | null | 5.54058 | false | true | false | NM | 0.416267 | 0.001476 | 0.208133 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249502 | LaAlGeH2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.170145488418948,2.7297031000000004e-9,0.0],[-2.085073239509585,3.61145184161808,0.0],[0.0,0.0,10.010049750054831]],"pbc":[true,true,true],"a":4.170145488418948,"b":4.1701456591401715,"c":10.010049750054831,"alpha":90.0,"beta":90.0,"gamma":120.00000646619608,"volume":150.75414814240858},"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":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,0.0,5.0050248750274156]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.25],"properties":{"magmom":-0.0},"label":"Al","xyz":[2.085074664182323,1.2038160785418934,2.5025124375137078]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.75],"properties":{"magmom":-0.0},"label":"Al","xyz":[-2.415272962309969e-6,2.4076357658058862,7.507537312541123]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-2.415272962309969e-6,2.4076357658058862,2.5025124375137078]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.75],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.085074664182323,1.2038160785418934,7.507537312541123]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.94058198023837],"properties":{"magmom":0.0},"label":"H","xyz":[-2.415272962309969e-6,2.4076357658058862,9.415272416191174]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.059418019761629005],"properties":{"magmom":0.0},"label":"H","xyz":[2.085074664182323,1.2038160785418934,0.5947773338636474]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5594180197616291],"properties":{"magmom":0.0},"label":"H","xyz":[-2.415272962309969e-6,2.4076357658058862,5.599802208891064]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.44058198023837003],"properties":{"magmom":0.0},"label":"H","xyz":[2.085074664182323,1.2038160785418934,4.410247541163758]}]} | false | -12.059874 | -12.059874 | -0.608058 | 0 | true | -0.041142 | 0.7139 | 8.2705 | 7.5566 | 7.598042 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249503 | AcTb2(GaNi2)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.448467731873728,-0.014357084570773001,0.8176677919381441],[3.8831533007345103,3.821928917415084,0.817667797253747],[-0.004529230830937,-0.0018481516950350002,8.074963376830283]],"pbc":[true,true,true],"a":5.509499738553367,"b":5.50950096047226,"c":8.074964858545636,"alpha":81.49727913299964,"beta":81.49727680983439,"gamma":44.17450659446962,"volume":168.61702077655193},"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":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37500934725988305,0.375009347256032,0.38767041031590505],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.497689263525412,1.4271585539394032,3.7436904974322607]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624990652740116,0.624990652743974,0.612329589684101],"properties":{"magmom":0.0},"label":"Tb","xyz":[5.829402538251907,2.3785651272098964,5.966608468589967]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.319683180387599,0.31968318038431603,0.7746156318807631],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.979653876861224,1.2157850658723004,6.777782140708617]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6803168196124001,0.680316819615683,0.225384368119236],"properties":{"magmom":-0.0},"label":"Ga","xyz":[6.347437924916068,2.5899386152769717,2.932516825313548]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.738233995828892,0.738233995827549,0.910762678439596],"properties":{"magmom":-0.0},"label":"Ni","xyz":[6.884794828055241,2.809195740973128,8.56163559991282]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08689313365206801,0.086893133649574,0.37286987638064],"properties":{"magmom":-0.0},"label":"Ni","xyz":[0.8091649798271611,0.330162728057598,3.153010030012498]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.913106866347931,0.913106866350425,0.627130123619359],"properties":{"magmom":-0.0},"label":"Ni","xyz":[8.51792682195013,3.4755609530916747,6.557288936009667]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.261766004171107,0.26176600417245,0.08923732156040301],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.4422969737220512,0.9965279401761441,1.1486633661093442]}]} | false | -22.957418 | -22.957418 | -0.523777 | 0 | true | -0.004606 | 0 | null | null | 6.252858 | false | true | false | NM | 0.000008 | 0 | 0.000008 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249504 | Ac4Ga3CoI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.361204874808743,-1.8800766e-9,0.0],[-2.180601940645946,3.776914344582665,0.0],[-1e-16,-1e-16,18.843416077259548]],"pbc":[true,true,true],"a":4.361204874808743,"b":4.361204740649442,"c":18.843416077259548,"alpha":90.0,"beta":90.0,"gamma":119.99999350647373,"volume":310.3868134114076},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.10305056488290601],"properties":{"magmom":0.014},"label":"Ac","xyz":[-1.0305056488290601e-17,-1.0305056488290601e-17,1.9418246710852292]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8998922123439571],"properties":{"magmom":0.011},"label":"Ac","xyz":[-8.99892212343957e-17,-8.99892212343957e-17,16.957043381882784]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6170509986734131],"properties":{"magmom":-0.001},"label":"Ac","xyz":[-6.170509986734131e-17,-6.170509986734131e-17,11.62734870889165]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.38154329570625806],"properties":{"magmom":-0.001},"label":"Ac","xyz":[-3.8154329570625805e-17,-3.8154329570625805e-17,7.189579072481897]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5088701480440391],"properties":{"magmom":-0.0},"label":"Ga","xyz":[-1.8494299663240067e-6,2.517944154733185,9.588851928890492]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.48928050530724904],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.180604783592761,1.2589701879694,9.219716139996292]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0018158034192190002],"properties":{"magmom":0.001},"label":"Ga","xyz":[2.180604783592761,1.2589701879694,0.03421593934285417]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.999050146097864],"properties":{"magmom":-0.065},"label":"Co","xyz":[-1.8494299663730247e-6,2.517944154733185,18.825517584968992]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.250011797221354],"properties":{"magmom":0.0},"label":"I","xyz":[-1.849429966298121e-6,2.517944154733185,4.711076319265416]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7494325283037211],"properties":{"magmom":0.0},"label":"I","xyz":[2.180604783592761,1.2589701879694,14.121868952659609]}]} | false | -38.019994 | -38.019994 | -0.89701 | 0 | true | -0.024359 | 0 | null | null | 6.736362 | false | true | true | FM | 0.013661 | 0.000044 | 0.013661 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249505 | ErRe2BC | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.767514809518473,-0.28761492227496305,0.0],[-4.625277142413946,3.457421901889189,0.0],[0.0,0.0,7.216489527183201]],"pbc":[true,true,true],"a":5.774681759329265,"b":5.774682229508389,"c":7.216489527183201,"alpha":90.0,"beta":90.0,"gamma":146.0765350888969,"volume":134.30199697753085},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.54537267348882,0.45462732650965104,0.25],"properties":{"magmom":-0.0},"label":"Er","xyz":[1.0426675894316015,1.4149811567754194,1.8041223817958003]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45462732651117904,0.545372673490348,0.75],"properties":{"magmom":-0.0},"label":"Er","xyz":[0.0995700776729245,1.7548258228388038,5.412367145387401]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8284163483558231,0.17158365164276201,0.06483669875329601],"properties":{"magmom":-0.0},"label":"Re","xyz":[3.9842816156342393,0.35497217155214156,0.46789335753029276]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17158365164417602,0.8284163483572371,0.9351633012467031],"properties":{"magmom":-0.0},"label":"Re","xyz":[-2.8420439485297138,2.814834808062082,6.748596169652902]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17158365164417602,0.8284163483572371,0.564836698753296],"properties":{"magmom":-0.0},"label":"Re","xyz":[-2.8420439485297138,2.814834808062082,4.076138121121893]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8284163483558231,0.17158365164276201,0.43516330124670305],"properties":{"magmom":-0.0},"label":"Re","xyz":[3.9842816156342393,0.35497217155214156,3.140351406061301]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25860744720905804,0.741392552794621,0.25],"properties":{"magmom":0.0},"label":"B","xyz":[-1.9376237463668764,2.4889274891008997,1.8041223817958003]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7413925527909411,0.25860744720537804,0.75],"properties":{"magmom":0.0},"label":"B","xyz":[3.079861413471402,0.6808794905133233,5.412367145387401]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"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":0.0},"label":"C","xyz":[0.0,0.0,3.6082447635916006]}]} | false | -31.680375 | -31.680375 | -0.472324 | 0 | true | -0.022294 | 0 | null | null | 6.377958 | false | true | false | NM | 0.000009 | 0 | 0.000005 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249506 | KErH6Os | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.447213772295071,1.1981615000000002e-9,2.567600269805245],[1.4824045918946611,4.19287420720971,2.567600269805245],[3.3889124000000004e-9,2.3963234e-9,5.13520152785651]],"pbc":[true,true,true],"a":5.135200237770181,"b":5.135200934438573,"c":5.13520152785651,"alpha":60.00000250557622,"beta":59.99999801780514,"gamma":60.00000316630769,"volume":95.75408941527118},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"K","xyz":[4.447213775683983,3.1446556581031455,7.70280155060025]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Er","xyz":[1.4824045918946611,1.0482185527010486,2.56760051686675]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7634576905796561,0.23654230942044302,0.23654230942067],"properties":{"magmom":-0.0},"label":"H","xyz":[3.7459109625742886,0.9917921495643713,3.7822926985452314]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23654230942034302,0.763457690579556,0.7634576905793291],"properties":{"magmom":-0.0},"label":"H","xyz":[2.18370740500435,3.2010820612398194,6.488109368921759]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.236542309420109,0.7634576905793291,0.23654230942100402],"properties":{"magmom":-0.0},"label":"H","xyz":[2.1837074032173027,3.201082059976208,3.782292698545249]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7634576905798901,0.23654230942067,0.763457690578995],"properties":{"magmom":-0.0},"label":"H","xyz":[3.7459109643613364,0.9917921508279828,6.488109368921742]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.236542309419896,0.236542309420556,0.763457690579542],"properties":{"magmom":-0.0},"label":"H","xyz":[1.4026056244323348,0.9917921501961751,5.135201294093323]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.763457690580104,0.763457690579443,0.236542309420457],"properties":{"magmom":-0.0},"label":"H","xyz":[4.527012743146308,3.2010820606080155,5.135200773373669]},{"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 | -13.105459 | -13.105459 | -0.476614 | 0 | true | -0.037261 | 3.0267 | 3.8303 | 0.8036 | 0.844221 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249507 | Tb3Cd3Sn2Pt | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.460092991821511,0.0,0.0],[-3.730046495910755,6.460629521844217,0.0],[0.0,0.0,4.471403215906263]],"pbc":[true,true,true],"a":7.460092991821511,"b":7.4600925383121846,"c":4.471403215906263,"alpha":90.0,"beta":90.0,"gamma":120.00000201096272,"volume":215.50776032596255},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6058313996240371,0.0,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[4.519558578560696,0.0,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[2.7e-13,0.605831399624577,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[-2.259779289280347,3.914052225674743,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.394168600375699,0.394168600375422,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.4702672066304563,2.546577296169467,0.0]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.237403447243409,0.0,0.5],"properties":{"magmom":0.0},"label":"Cd","xyz":[1.7710517930148233,0.0,2.2357016079531316]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999999999999071,0.23740344724321702,0.5],"properties":{"magmom":0.0},"label":"Cd","xyz":[6.574567095314122,1.5337757198471138,2.2357016079531316]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.76259655275669,0.7625965527567821,0.5],"properties":{"magmom":0.0},"label":"Cd","xyz":[2.84452059940337,4.926853801997097,2.2357016079531316]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[-3.7300464580850083e-6,4.307088501439293,2.2357016079531316]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[3.73005022595721,2.153541020404918,2.2357016079531316]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.0,0.0,0.0]}]} | false | -29.108951 | -29.108951 | -0.778468 | 0 | true | -0.020514 | 0 | null | null | 5.106268 | 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-3249508 | Nd4TeC4Cl | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.514075572318958,0.0024160790669680004,1.408540804745695],[6.255017771231747,4.163662357072827,1.408540802865492],[-0.011284047835981002,-0.0034144525277670004,6.899427407930571]],"pbc":[true,true,true],"a":7.644954201471202,"b":7.644953808589506,"c":6.899437480369337,"alpha":79.47662994953659,"beta":79.4766292564427,"gamma":33.03894527557153,"volume":215.82391966427198},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.535824835189124,0.15701594639958202,0.14298224744707902],"properties":{"magmom":0.0},"label":"Nd","xyz":[5.006752421712697,0.6545677745557449,1.9623901486482584]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14242237140861302,0.554383691538184,0.6466999378897991],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.530554911570923,2.306402485305204,5.443339047796285]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.445616308460614,0.8575776285922381,0.8533000621098801],"properties":{"magmom":0.0},"label":"Nd","xyz":[8.702929246366784,3.5688267821180397,7.722883670933481]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8429840536018951,0.46417516481047005,0.35701775255404306],"properties":{"magmom":0.0},"label":"Nd","xyz":[9.233641184480216,1.9334863567674592,4.304405163649703]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.790267979758382,0.20973202024146,0.7499999999998651],"properties":{"magmom":-0.0},"label":"Te","xyz":[7.2415478002179965,0.8726018282795678,6.5831113602981315]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.346815528693092,0.11021417002050501,0.47413376802432305],"properties":{"magmom":0.0},"label":"C","xyz":[3.290039536254423,0.4581136174266457,3.9149964935439177]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8897858299801761,0.6531844713061401,0.025866231975761003],"properties":{"magmom":0.0},"label":"C","xyz":[10.77130656976316,2.721701069298638,2.3517988184778718]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.63876785336398,0.906562067483598,0.5232835826116541],"properties":{"magmom":0.0},"label":"C","xyz":[10.464407009201429,3.7743749414193504,5.787017340594676]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.093437932515151,0.361232146638002,0.9767164173886651],"properties":{"magmom":0.0},"label":"C","xyz":[2.950591868224977,1.5009394927138069,7.379205378412093]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.274077307028989,0.72592269296981,0.24999999999893402],"properties":{"magmom":0.0},"label":"Cl","xyz":[6.597275930781075,3.0223055701756385,3.1333976553544094]}]} | false | -19.896836 | -19.896836 | -0.993772 | 0 | true | -0.070091 | 0 | null | null | 4.869081 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [
"Nd3+",
"C2-",
"Te-",
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"Cl-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249509 | Nd2Si(NiPt3)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.046516410688093,0.0,0.0],[0.0,5.143526539192051,-7.574379155389197],[0.0,0.004242154721599001,9.155711711353035]],"pbc":[true,true,true],"a":4.046516410688093,"b":9.155713235404837,"c":9.155712694120748,"alpha":145.79424009134854,"beta":90.0,"gamma":90.0,"volume":190.69118696389174},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.620953849372995,0.36954630731055704],"properties":{"magmom":0.0},"label":"Nd","xyz":[2.0232582053440464,3.19546027647587,-1.3198804394189623]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.369546307311694,0.620953849374224],"properties":{"magmom":0.0},"label":"Nd","xyz":[2.0232582053440464,1.9034054214221374,2.886190583872586]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.22572816914610103,0.225728169145391],"properties":{"magmom":-0.0},"label":"Si","xyz":[0.0,1.161996402464741,0.3569513026623409]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7883726229341971,0.19583658873222],"properties":{"magmom":0.0},"label":"Ni","xyz":[2.0232582053440464,4.055846277944043,-4.178409812865275]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.19583658873307203,0.7883726229350211],"properties":{"magmom":0.0},"label":"Ni","xyz":[2.0232582053440464,1.010635090138158,5.734771881153975]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.880056927132251,0.110383604056522],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.0,4.527064425031674,-5.655244388024737]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.9908665448853351,0.490918716892125],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.0,5.098630923568038,-3.0104886577803627]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.642475866331608,0.642475866331061],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.0,3.3073171512969,1.0159680038462346]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.1103836040554,0.88005692713174],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.0,0.5714943345993251,7.22146024474348]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.49091871689230904,0.9908665448854991],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.0,2.529256858113561,5.3536839331765655]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.9984458032050441,0.99844580320564],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.0232582053440464,5.1397680483083965,1.5788748539790567]}]} | false | -37.338854 | -37.338854 | -0.929807 | 0 | true | -0.040967 | 0 | null | null | 8.085351 | false | true | false | NM | 0.000042 | 0 | 0.000042 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249510 | DyGeRu2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.875852100220198,0.026028260485519,0.0],[-4.622944699011747,3.626939477191671,0.0],[0.0,0.0,7.2409033793224244]],"pbc":[true,true,true],"a":5.875909748626677,"b":5.875909092330496,"c":7.2409033793224244,"alpha":90.0,"beta":90.0,"gamma":141.63017802804663,"volume":155.18477593265214},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5458598621892391,0.454140137810952,0.25],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.1079270749689438,1.661346576685459,1.8102258448306061]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45414013781076,0.545859862189047,0.75],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.1449803262395071,1.9916211609917278,5.430677534491818]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26706860405749905,0.73293139594277,0.25],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-1.8190456935587758,2.6652491452119444,1.8102258448306061]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7329313959425,0.26706860405722904,0.75],"properties":{"magmom":-0.0},"label":"Ge","xyz":[3.0719530947672267,0.9877185924652422,5.430677534491818]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8382119172955661,0.16178808270156902,0.056645811611367],"properties":{"magmom":0.0},"label":"Ru","xyz":[4.177271895382259,0.6086127822149069,0.4101668487212088]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.161788082704433,0.83821191729843,0.943354188388632],"properties":{"magmom":0.0},"label":"Ru","xyz":[-2.924364494173808,3.0443549554622797,6.830736530601209]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.161788082704433,0.83821191729843,0.5566458116113681],"properties":{"magmom":0.0},"label":"Ru","xyz":[-2.924364494173808,3.0443549554622797,4.030618538382429]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8382119172955661,0.16178808270156902,0.44335418838863205],"properties":{"magmom":0.0},"label":"Ru","xyz":[4.177271895382259,0.6086127822149069,3.2102848409399964]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"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":-0.0},"label":"C","xyz":[0.0,0.0,3.6204516896612122]}]} | false | -21.899074 | -21.899074 | -0.569056 | 0 | true | -0.081558 | 0 | null | null | 7.935315 | false | true | false | NM | 0.000008 | 0 | 0.000004 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249511 | YEr3(Si2Tc)2 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.156974111117489,0.049489766721646004,2.524374454719332],[3.441132436323855,3.841281497490153,2.52437445447334],[0.042298686714189,0.019140837983098003,10.0172921037675]],"pbc":[true,true,true],"a":5.741889724418757,"b":5.741890139464349,"c":10.017399694670226,"alpha":63.67605241262292,"beta":63.676050607270604,"gamma":42.497726752843235,"volume":196.24269906776823},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8121614361237871,0.812161436123616,0.108220072809473],"properties":{"magmom":-0.0},"label":"Y","xyz":[6.987628128470665,3.1620058004509253,5.18447124554137]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.003348428691545,0.003348428692639,0.324645179827435],"properties":{"magmom":0.0},"label":"Er","xyz":[0.04252221141497035,0.01924195092659861,3.268970972118254]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18613667211894802,0.186136672119758,0.8891519949333211],"properties":{"magmom":0.0},"label":"Er","xyz":[1.6380329009426378,0.7412343293768949,9.846652578218016]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9962299832886141,0.9962299832873781,0.6759730487357271],"properties":{"magmom":0.0},"label":"Er","xyz":[8.59428431428267,3.889041682127584,11.801134524890347]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.357417953218643,0.357417953220419,0.5604208355140871],"properties":{"magmom":0.0},"label":"Si","xyz":[3.0968227090979243,1.401358426118243,7.4184127118250345]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.498261293815474,0.49826129381451506,0.8771070963053801],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.321204170969536,1.9554092888667616,11.301834153619708]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6429420107268841,0.6429420107252001,0.44089187018414505],"properties":{"magmom":0.0},"label":"Si","xyz":[5.546733059141882,2.509979339739506,7.6625954251381705]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.502701541090381,0.5027015410907291,0.122188016161949],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.327449804475119,1.9582354915716103,3.7620069067045225]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.728484129687196,0.7284841296864211,0.630346158871226],"properties":{"magmom":-0.0},"label":"Tc","xyz":[6.290246979863509,2.8464304719185294,9.992295055021355]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.272313551238532,0.27231355123933504,0.37105472665724104],"properties":{"magmom":-0.0},"label":"Tc","xyz":[2.357076055500483,1.0666120384232411,5.091806328185138]}]} | false | -21.72762 | -21.72762 | -0.816191 | 0 | true | -0.002264 | 0 | null | null | 6.374341 | false | true | false | NM | 0.000039 | 0 | 0.000039 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249512 | Sm2B3Ru4C | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.612881982650874,-0.01426960363369,3.626990187293196],[3.11004086847777,4.606813684230179,1.874626906795122],[-0.008294574995558001,-0.030301375457272003,5.539711966768933]],"pbc":[true,true,true],"a":6.682791751317394,"b":5.865945155257816,"c":5.539801047699446,"alpha":71.67037358132158,"beta":57.21547423254814,"gamma":51.89730136429139,"volume":143.60480333495653},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9989584221661111,0.001041577833888,0.9989584221661191],"properties":{"magmom":-0.0},"label":"Sm","xyz":[5.601989143274501,-0.03972619992876031,9.159106890121569]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24996159297941,0.250038407020582,0.249961592979438],"properties":{"magmom":-0.0},"label":"Sm","xyz":[2.178561260932953,1.1407393221113027,2.7600521983302873]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.315761049377599,0.6842389506223441,0.31576104937785404],"properties":{"magmom":-0.0},"label":"B","xyz":[3.897721501409551,3.1380875818807556,4.177180239013873]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9333787306514411,0.566621269348615,0.933378730651185],"properties":{"magmom":-0.0},"label":"B","xyz":[6.993417985005315,2.5687170135232673,9.618208298300242]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5652211073927871,0.9347788926071771,0.5652211073929361],"properties":{"magmom":0.0},"label":"B","xyz":[6.07503166003332,4.281159736032897,6.933575206645231]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.615232643067891,0.606135560207135,0.88217823137505],"properties":{"magmom":-0.0},"label":"Ru","xyz":[5.331017287996711,2.756843253492541,8.254734094810745]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.641245765195193,0.6272457168013831,0.364544481253254],"properties":{"magmom":0.0},"label":"Ru","xyz":[5.546972874206235,2.86940762943693,5.521115221112372]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.364544481252842,0.366964036750474,0.641245765195243],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.1820994411644428,1.6659024121765362,5.562436752546528]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.882178231375448,0.896452565349612,0.615232643067898],"properties":{"magmom":-0.0},"label":"Ru","xyz":[7.734463321965457,4.098559216308674,8.288377523462428]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.683517976541267,0.316482023458789,0.6835179765410111],"properties":{"magmom":0.0},"label":"C","xyz":[4.815108271324603,1.427508651042096,6.8588914245924135]}]} | false | -19.863193 | -19.863193 | -0.548164 | 0 | true | -0.01758 | 0 | null | null | 7.463962 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Sm2.50+",
"Ru2+",
"C4-",
"B3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249513 | KHoH6Os | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.459657785854011,-9.301100999999999e-10,2.574783782311641],[1.486552925662917,4.204605881769783,2.574783782311642],[3.5936674000000005e-9,2.5411066000000003e-9,5.149568552164359]],"pbc":[true,true,true],"a":5.1495688258905075,"b":5.149569083667592,"c":5.149568552164359,"alpha":60.00000971803192,"beta":60.00000806212747,"gamma":60.0000033911729,"volume":96.56009211477675},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"K","xyz":[1.4865526787776489,1.051151470845195,2.5747840291969104]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.4596580363329466,3.1534544125355852,7.724352087590731]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7640290516825551,0.7640290516822781,0.235970948317849],"properties":{"magmom":0.0},"label":"H","xyz":[4.543077731872518,3.2124410444352924,5.149567797655655]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.235970948317223,0.764029051682371,0.235970948317266],"properties":{"magmom":0.0},"label":"H","xyz":[2.188119299816152,3.2124410449268352,3.789932356989591]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.764029051682513,0.235970948317366,0.23597094831713103],"properties":{"magmom":0.0},"label":"H","xyz":[3.758091413395211,0.9921648371109869,3.789932356989629]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23597094831744403,0.23597094831772103,0.7640290516821501],"properties":{"magmom":0.0},"label":"H","xyz":[1.4031329832380712,0.9921648389454838,5.149568319131978]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.764029051682776,0.23597094831762802,0.764029051682733],"properties":{"magmom":0.0},"label":"H","xyz":[3.7580914152944382,0.9921648384539405,6.509203759798042]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23597094831748602,0.764029051682634,0.764029051682868],"properties":{"magmom":0.0},"label":"H","xyz":[2.188119301715381,3.2124410462697934,6.509203759798006]},{"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 | -12.99702 | -12.99702 | -0.484186 | 0 | true | -0.044154 | 2.9956 | 3.8062 | 0.8106 | 0.810939 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249514 | Ba2PaRhO6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.158343183210423,-4.1172807000000015e-9,2.978170986332734],[1.719448054715903,4.863332709579251,2.978170986332734],[-4.2625221000000005e-9,-3.0140583e-9,5.956340987465658]],"pbc":[true,true,true],"a":5.956341731264882,"b":5.956341921075708,"c":5.956340987465658,"alpha":59.99999975448842,"beta":59.99999870033606,"gamma":59.99999705240829,"volume":149.4251726574999},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Ba","xyz":[1.719447808415951,1.215833175611978,2.9781707400327813]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ba","xyz":[5.158343425247853,3.6474995268359343,8.934512220098345]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Pa","xyz":[3.438895616831902,2.431666351223956,5.9563414800655625]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Rh","xyz":[0.0,0.0,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7562123358227381,0.24378766417702702,0.243787664177453],"properties":{"magmom":-0.0},"label":"O","xyz":[4.319982971444625,1.1856205175357286,4.430253442710711]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24378766417726103,0.7562123358229721,0.7562123358225461],"properties":{"magmom":-0.0},"label":"O","xyz":[2.557808262219173,3.6777121849121794,7.482429517420404]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24378766417709102,0.7562123358228091,0.243787664177389],"properties":{"magmom":-0.0},"label":"O","xyz":[2.5578082644022375,3.677712186455864,4.430253442710732]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.756212335822908,0.24378766417719003,0.75621233582261],"properties":{"magmom":-0.0},"label":"O","xyz":[4.31998296926156,1.1856205159920437,7.482429517420383]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24378766417709102,0.24378766417696301,0.756212335822802],"properties":{"magmom":-0.0},"label":"O","xyz":[1.6767206573681306,1.1856205181007358,5.9563412276442]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.756212335822908,0.756212335823036,0.24378766417719702],"properties":{"magmom":-0.0},"label":"O","xyz":[5.201070576295668,3.6777121843471714,5.956341732486915]}]} | false | -21.913318 | -21.913318 | -2.930656 | 0 | true | -0.230745 | 2.2637 | 7.4975 | 5.2338 | 5.290901 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Rh3+",
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"Pa5+",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249515 | EuTh3(NiAs2)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.162435368334852,8.7497819e-9,0.0],[-2.081219169009665,3.60477578977293,0.0],[0.0,-1e-16,15.188891040225137]],"pbc":[true,true,true],"a":4.162435368334852,"b":4.162436993395374,"c":15.188891040225137,"alpha":90.0,"beta":90.0,"gamma":120.00001056556029,"volume":227.90393714752577},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.11593585570065501],"properties":{"magmom":6.7},"label":"Eu","xyz":[-3.0711129840626667e-6,2.4031850643571264,1.7609370798925132]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.380212867701516],"properties":{"magmom":0.009000000000000001},"label":"Th","xyz":[-3.0711129840626667e-6,2.4031850643571264,5.775011819609862]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.616539146133199],"properties":{"magmom":-0.018000000000000002},"label":"Th","xyz":[2.081219270438169,1.2015907341655818,9.364545912650604]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8807212802202351],"properties":{"magmom":-0.034},"label":"Th","xyz":[2.081219270438169,1.2015907341655818,13.37717956207274]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.267926688991721],"properties":{"magmom":-0.057},"label":"Ni","xyz":[0.0,-2.67926688991721e-17,4.069509285863538]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.7438550272552861],"properties":{"magmom":-0.001},"label":"Ni","xyz":[0.0,-7.438550272552861e-17,11.29833295870424]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.499895106793992],"properties":{"magmom":-0.002},"label":"As","xyz":[0.0,-4.99895106793992e-17,7.592852308635654]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.994874463203373],"properties":{"magmom":-0.034},"label":"As","xyz":[0.0,-9.94874463203373e-17,15.111039820298505]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7499561706198461],"properties":{"magmom":0.0},"label":"As","xyz":[-3.0711129840626667e-6,2.4031850643571264,11.391002560489335]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.25008139338017],"properties":{"magmom":-0.025},"label":"As","xyz":[2.081219270438169,1.2015907341655818,3.7984590352390817]}]} | false | -35.486535 | -35.486535 | -1.312512 | 0 | true | -0.024577 | 0 | null | null | 6.602502 | false | true | true | FiM | 6.75227 | 0.029628 | 6.75227 | 2 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249516 | La3SmCoI5 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.595798511965292,-0.05085030574074301,2.2499411330781],[8.587300080242155,4.282548303653296,2.24994113544873],[0.024516648726353,0.0057054230357380005,9.242133398622697]],"pbc":[true,true,true],"a":9.856174203926491,"b":9.856174600433729,"c":9.242167677328403,"alpha":76.6525329591159,"beta":76.65253169620128,"gamma":26.088842811776946,"volume":383.5843321017875},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.869953732401995,0.8699537323951241,0.064073398450929],"properties":{"magmom":-0.001},"label":"La","xyz":[15.820025351867852,3.68174703349615,4.506864270645604]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13021707227475302,0.130217072281979,0.929118772781883],"properties":{"magmom":0.001},"label":"La","xyz":[2.3905287421998422,0.5563403397192186,9.17300113581967]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5005953400034641,0.500595340003144,0.224884380129751],"properties":{"magmom":-0.002},"label":"La","xyz":[9.107887833431532,2.1196513585784116,4.331031534613762]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499534094861161,0.499534094861374,0.789083671202455],"properties":{"magmom":-0.002},"label":"Sm","xyz":[9.102423384214,2.1183794852687496,9.540661167918838]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00024925505995500004,0.000249255058363,0.00007515516992380001],"properties":{"magmom":0.0},"label":"Co","xyz":[0.004534071868998353,0.0010552009234010681,0.0018162125270821063]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.675525597601179,0.6755255976008521,0.16289983722339202],"properties":{"magmom":0.0},"label":"I","xyz":[12.287142300826071,2.859549731390002,4.545327684813312]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.329583701229744,0.329583701229673,0.825206806563706],"properties":{"magmom":0.0},"label":"I","xyz":[6.013084239247586,1.399406842561629,9.109759240872217]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666074219956577,0.6660742199579841,0.6572464800441361],"properties":{"magmom":0.0},"label":"I","xyz":[12.127406692288066,2.8223748122648398,9.071615216251722]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.328497305686887,0.328497305687633,0.33714420179708704],"properties":{"magmom":0.0},"label":"I","xyz":[5.981364542551167,1.392024941093361,4.5941308887017875]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9997686809242831,0.9997686809238711,0.51026629663675],"properties":{"magmom":-0.0},"label":"I","xyz":[18.19140251419543,4.233630410524389,9.214790542256736]}]} | false | -26.811637 | -26.811637 | -1.312146 | 0 | true | -0.015698 | 0 | null | null | 5.568914 | false | true | false | NM | 0.000208 | 0.000001 | 0.000208 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249517 | Pr2AlZnI | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.350705996846453,2.9000036e-9,0.0],[-2.175353493416964,3.767821919533939,0.0],[0.0,0.0,17.164382422797814]],"pbc":[true,true,true],"a":4.350705996846453,"b":4.350706245960741,"c":17.164382422797814,"alpha":90.0,"beta":90.0,"gamma":120.00000559489175,"volume":281.37032160006316},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.384865556806325],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,6.605979598386779]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8848655568063251],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,15.188170809785687]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6180308174632141],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,10.608117300012957]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.118030817463214],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,2.0259260886140478]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.509374131240242],"properties":{"magmom":-0.0},"label":"Al","xyz":[-2.505348966594517e-6,2.5118825365965844,8.743092384887916]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.009374131240242],"properties":{"magmom":-0.0},"label":"Al","xyz":[2.1753550087784537,1.2559393858373546,0.16090117348900967]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.48719110872631405],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.1753550087784537,1.2559393858373546,8.362334503165323]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9871911087263141],"properties":{"magmom":-0.0},"label":"Zn","xyz":[-2.505348966594517e-6,2.5118825365965844,16.944525714564232]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25053838576388904],"properties":{"magmom":-0.0},"label":"I","xyz":[-2.505348966594517e-6,2.5118825365965844,4.3003366648418355]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7505383857638891],"properties":{"magmom":-0.0},"label":"I","xyz":[2.1753550087784537,1.2559393858373546,12.882527876240744]}]} | false | -20.637493 | -20.637493 | -0.835634 | 0 | true | -0.054388 | 0 | null | null | 4.729641 | false | true | false | NM | 0.000041 | 0 | 0.000021 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249518 | DyRe2BC | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.7636129000215055,-0.018666526002897,0.0],[-4.742258698447437,3.275752043622616,0.0],[0.0,0.0,7.247513564325996]],"pbc":[true,true,true],"a":5.763643127440085,"b":5.763641992204072,"c":7.247513564325996,"alpha":90.0,"beta":90.0,"gamma":145.55048385551314,"volume":136.1927037771642},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.544699712148847,0.45530028785360305,0.25],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.9802865370997247,1.4812831970578084,1.811878391081499]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.455300287851152,0.544699712146396,0.75],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.04106766447434266,1.7758023205619073,5.435635173244497]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8276612435772811,0.172338756427208,0.06498037665667701],"properties":{"magmom":0.0},"label":"Re","xyz":[3.953044053583317,0.5490894734369814,0.47094616123427896]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.172338756422718,0.827661243572791,0.9350196233433221],"properties":{"magmom":0.0},"label":"Re","xyz":[-2.93168985200925,2.7079960441827344,6.776567403091711]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.172338756422718,0.827661243572791,0.564980376656677],"properties":{"magmom":0.0},"label":"Re","xyz":[-2.93168985200925,2.7079960441827344,4.094702943397277]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8276612435772811,0.172338756427208,0.43501962334332206],"properties":{"magmom":0.0},"label":"Re","xyz":[3.953044053583317,0.5490894734369814,3.1528106209287126]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26051825571111203,0.739481744280993,0.25],"properties":{"magmom":0.0},"label":"B","xyz":[-2.005287354851956,2.417495864255619,1.811878391081499]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.739481744288887,0.260518255719006,0.75],"properties":{"magmom":0.0},"label":"B","xyz":[3.026641556426024,0.839589653364097,5.435635173244497]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"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":-0.0},"label":"C","xyz":[0.0,0.0,3.623756782162998]}]} | false | -31.279913 | -31.279913 | -0.460589 | 0 | true | -0.030662 | 0 | null | null | 6.361783 | false | true | false | NM | 0.000003 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249519 | Li3Ca2YbPb3 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.915853391042061,8.3614123e-9,0.0],[-2.457927181014132,4.257253886252182,0.0],[0.0,0.0,10.948224006798343]],"pbc":[true,true,true],"a":4.915853391042061,"b":4.915853606361502,"c":10.948224006798343,"alpha":90.0,"beta":90.0,"gamma":120.00000498757372,"volume":229.12482586362268},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.806759766413883],"properties":{"magmom":0.0},"label":"Li","xyz":[2.457928991616827,1.4190832152403894,8.832586642371497]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"Li","xyz":[-2.78158890003668e-6,2.838170679373201,5.4741120033991715]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.19324023358611703],"properties":{"magmom":0.0},"label":"Li","xyz":[2.457928991616827,1.4190832152403894,2.115637364426846]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.33180102985389204],"properties":{"magmom":0.0},"label":"Ca","xyz":[0.0,0.0,3.6326320005267947]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6681989701461071],"properties":{"magmom":0.0},"label":"Ca","xyz":[0.0,0.0,7.3155920062715385]},{"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":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.149615683097259],"properties":{"magmom":0.0},"label":"Pb","xyz":[-2.78158890003668e-6,2.838170679373201,1.6380260134789442]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8503843169027401],"properties":{"magmom":0.0},"label":"Pb","xyz":[-2.78158890003668e-6,2.838170679373201,9.310197993319388]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Pb","xyz":[2.457928991616827,1.4190832152403894,5.4741120033991715]}]} | false | -25.771631 | -25.771631 | -0.591466 | 0 | true | -0.009458 | 0 | null | null | 4.38813 | 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-3249520 | Nd4SiI5 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.81479993869368,0.0010907863449510001,2.1349157225061752],[8.852536807472948,4.2382653081301624,2.13491572259454],[0.023488602599827,0.005334306397137001,8.977228287050675]],"pbc":[true,true,true],"a":10.044310039450215,"b":10.044310125257203,"c":8.977260600378026,"alpha":77.57826949926229,"beta":77.57826950314434,"gamma":24.983013942293187,"volume":373.1221604703491},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.853381050910584,0.853381050910861,0.07525556929469701],"properties":{"magmom":-0.0},"label":"Nd","xyz":[15.932119098308478,3.6181875953532443,4.319379671262154]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.146618949089415,0.146618949089138,0.9247444307053031],"properties":{"magmom":-0.0},"label":"Nd","xyz":[2.758706250457959,0.6265028055190021,8.927680060889234]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500749190600785,0.500749190600707,0.21488262215653703],"properties":{"magmom":0.0},"label":"Nd","xyz":[9.352701058831984,2.1240003827225906,4.067164994155084]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499250809399214,0.49925080939929206,0.785117377843462],"properties":{"magmom":0.0},"label":"Nd","xyz":[9.338124289934454,2.1206900181496557,9.179894737996294]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Si","xyz":[0.0,0.0,0.0]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6720127321306321,0.6720127321304401,0.173077320036156],"properties":{"magmom":-0.0},"label":"I","xyz":[12.548753312781653,2.8498245189775218,4.423135708434509]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32798726786936705,0.327987267869559,0.826922679963843],"properties":{"magmom":-0.0},"label":"I","xyz":[6.1420720359847865,1.394865881894725,8.823924023716868]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666673526778851,0.6666735267786591,0.6603691712207791],"properties":{"magmom":-0.0},"label":"I","xyz":[12.46053037316563,2.8297890902688416,8.774868392035511]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333326473221148,0.33332647322134,0.33963082877922],"properties":{"magmom":-0.0},"label":"I","xyz":[6.230294975600807,1.4149013106034052,4.4721913401158675]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"I","xyz":[0.0117443012999135,0.0026671531985685004,4.4886141435253375]}]} | false | -26.378273 | -26.378273 | -1.454351 | 0 | true | -0.139328 | 0 | null | null | 4.522965 | false | true | false | NM | 0.000013 | 0 | 0.000013 | 0 | 0 | [
"I-",
"Si4-",
"Nd2.25+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249521 | HoCu2Bi2(SeO2)2 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[12.539572031221086,0.030761966580583004,-1.927568603464094],[-0.601949322522777,3.8078542924358723,0.0],[-5.103246000000003e-10,-8.067259999999999e-11,3.855138195456793]],"pbc":[true,true,true],"a":12.68689614310098,"b":3.8551390765195395,"c":3.855138195456793,"alpha":90.0,"beta":98.73901096777112,"gamma":98.73901659773044,"volume":184.14985240069794},"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":0.0},"label":"Ho","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.75,0.25],"properties":{"magmom":0.0},"label":"Cu","xyz":[5.818324023590879,2.8712717025970274,2.4713215129867905e-7]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.25,0.75],"properties":{"magmom":0.0},"label":"Cu","xyz":[6.119298684597105,0.967344556338755,1.9275693448605478]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.79915739453849,0.39957819727069205,0.399578197266855],"properties":{"magmom":-0.0},"label":"Bi","xyz":[9.780565887752484,1.546119206672176,-1.532583339177223e-6]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.200843605461514,0.6004208027293031,0.60042080273314],"properties":{"magmom":-0.0},"label":"Bi","xyz":[2.157069961956908,2.292493275171262,1.9275653418692125]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.378159325662828,0.18907866283219402,0.18907866283011202],"properties":{"magmom":0.0},"label":"Se","xyz":[4.628140330335181,0.7316169223965273,-3.668232559392305e-6]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621840674337171,0.8109203371678071,0.8109203371698891],"properties":{"magmom":0.0},"label":"Se","xyz":[7.309482979802114,3.106995528684967,1.927569405087069]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.110138201606901,0.555068100803879,0.05506910080274],"properties":{"magmom":0.0},"label":"O","xyz":[1.0469630451778824,2.1170065179129125,5.443464231439878e-8]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8898617983930991,0.9449308991961161,0.44493089919726],"properties":{"magmom":0.0},"label":"O","xyz":[10.589685603953201,3.6255330794268312,4.3982965995290796e-7]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.110138201606901,0.055069100803883005,0.555068100802735],"properties":{"magmom":0.0},"label":"O","xyz":[1.347937104234784,0.21308317950894784,1.9275652970248243]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8898617983930991,0.44493089919611606,0.94493089919726],"properties":{"magmom":0.0},"label":"O","xyz":[10.890660264959427,1.7216059331685587,1.9275695375580568]}]} | false | -21.936301 | -21.936301 | -1.564233 | 0 | true | -0.052937 | 0 | null | null | 4.839807 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [
"O2-",
"Ho3+",
"Se2-",
"Bi3+",
"Cu1.50+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249522 | LiYb(NiH3)2 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.082009152286675,0.0007406985209880001,-2.357280880555555],[-1.359974494491901,3.848846980665091,-2.357285213891188],[-0.00010433196965300001,-0.000153890758504,4.714380974507975]],"pbc":[true,true,true],"a":4.713764145332184,"b":4.713803908296707,"c":4.7143809781741535,"alpha":120.0067202847016,"beta":120.0068658882185,"gamma":89.97884038634889,"volume":74.06960270883869},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750003437101,0.7500035454641321,0.9999998924944291],"properties":{"magmom":0.0},"label":"Li","xyz":[2.041430869924593,2.8870505171423746,1.1784394369680533]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24999830759468702,0.24999837730802402,0.9999995730507361],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.6803996309293079,0.9622367823570448,3.5357452527172906]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5000010667412901,0.999991124008566,0.49998758413249705],"properties":{"magmom":0.0},"label":"Ni","xyz":[0.6809943425316546,3.849106224914323,-1.1787752914099978]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999968632058011,0.500005973577621,0.5000111615239861],"properties":{"magmom":-0.0},"label":"Ni","xyz":[3.4019488095555603,1.9251102308193977,-1.1786870676920436]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25001908381737703,0.750017964461534,0.000038057736368600006],"properties":{"magmom":-0.0},"label":"H","xyz":[0.0005748823398044452,2.886889560871221,-2.357192045166391]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749977865344668,0.750019765900511,0.49999908091354606],"properties":{"magmom":0.0},"label":"H","xyz":[2.0413565924709407,2.8871898736831416,-1.1787328327699644]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749980233816927,0.24998082813531403,0.49999953610628706],"properties":{"magmom":-0.0},"label":"H","xyz":[2.7214064621623786,0.9626165195348577,-1.875608583642968e-6]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250016892038949,0.750015919563452,0.49999864368253105],"properties":{"magmom":0.0},"label":"H","xyz":[0.0005165546167561835,2.886804749434172,-0.00017738373254850022]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250020099729276,0.24997724561056603,0.49999895111003606],"properties":{"magmom":0.0},"label":"H","xyz":[0.680569491241431,0.9622324113034522,1.1785502766536484]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7499801506100141,0.24997925597026602,0.9999605192495901],"properties":{"magmom":-0.0},"label":"H","xyz":[2.7213560987012437,0.9625335290756102,2.3570085735019926]}]} | false | -8.826491 | -8.826491 | -0.465472 | 0 | true | -0.11591 | 0 | null | null | 5.197084 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [
"Ni+",
"Yb3+",
"Li+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249523 | Sc2UP3 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.97780509100191,-0.0034765174635960003,-4.452908830572276],[-0.515091736468079,3.629649251136726,-5.582766498940852],[0.027707993340787003,0.0034765105260690004,6.678784601867857]],"pbc":[true,true,true],"a":6.678843662159398,"b":6.678843834448549,"c":6.678842981921914,"alpha":146.7115403712365,"beta":131.57661648856072,"gamma":60.03050619765335,"volume":121.21118067803015},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.664646396890823,0.664646396890432,0.9999999999993171],"properties":{"magmom":0.059000000000000004},"label":"Sc","xyz":[2.9938343447884384,2.4135991524642395,0.008609153738455477]},{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.335353603109176,0.335353603109567,6.821e-13],"properties":{"magmom":0.059000000000000004},"label":"Sc","xyz":[1.4965870030861754,1.2160500917349564,-3.365499881383722]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.202},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.047},"label":"P","xyz":[2.5027565421713485,-3.4687634999606975e-9,1.1129378856477907]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.173158713341052,0.673158713342893,0.5000000000032401],"properties":{"magmom":-0.044},"label":"P","xyz":[0.5290658309165037,2.4444662857533355,-1.1897555760921665]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8268412866589471,0.32684128665710604,0.49999999999675904],"properties":{"magmom":-0.044},"label":"P","xyz":[3.96135551695811,1.1851829584458602,-2.1671351515531008]}]} | false | -23.166447 | -23.166447 | -1.542241 | 0 | true | -0.01263 | 0 | null | null | 7.166552 | false | true | true | FM | 2.487838 | 0.020525 | 2.487838 | 1 | 1 | [
"P3-",
"Sc2+",
"U4+",
"P2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249524 | YbYTaIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.727719661651897,-0.012154837690155,2.131317577436368],[1.372277207036509,4.524194044897749,2.131317583846797],[-0.016432016630542,-0.01215483842361,5.18590271729948]],"pbc":[true,true,true],"a":5.185942108733806,"b":5.185941682284398,"c":5.18594299472736,"alpha":65.91487293858329,"beta":65.9148706849774,"gamma":65.91486810040747,"volume":111.25419809402014},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9992799644348691,0.9992799644349751,0.9992799644347201],"properties":{"magmom":-0.0},"label":"Yb","xyz":[6.07918446900175,4.4966442919999645,9.441734595271033]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24905920644089702,0.24905920644072602,0.249059206441153],"properties":{"magmom":-0.0},"label":"Y","xyz":[1.515167834385026,1.120737629964359,2.353245346067513]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624816703715879,0.624816703715922,0.6248167037158151],"properties":{"magmom":0.0},"label":"Ta","xyz":[3.8011129377046338,2.8116029184064133,5.903604292230392]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6264897804022731,0.626489780402252,0.12386456460321602],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.819550354133629,2.825240898320674,3.312846948280188]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6264897804021811,0.123864564604097,0.626489780402614],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.121550080906634,0.5451575619055421,4.848158460161929]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12386456460389801,0.6264897804020321,0.626489780402486],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.4350200930563783,2.825240897951015,4.848158463382567]}]} | false | -44.716524 | -44.716524 | -0.964378 | 0 | true | -0.001721 | 0 | null | null | 6.25403 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249525 | GdCdCuPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.392214936634894,0.000489335257997,2.716360322758698],[1.679439365984738,4.394920036808397,2.716360322632826],[2.5176803e-9,1.4270256e-9,5.432721637605271]],"pbc":[true,true,true],"a":5.164316575511749,"b":5.432720507842554,"c":5.432721637605271,"alpha":59.99999913969667,"beta":58.26532848783655,"gamma":58.26533757072383,"volume":104.86571578105259},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7461958707744281,0.7512677097416961,0.7512677097418741],"properties":{"magmom":6.946},"label":"Gd","xyz":[4.539161217295577,3.3021266515719554,8.149078997144446]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.991882185598818,0.00270593813363,0.0027059381337360003],"properties":{"magmom":-0.003},"label":"Cd","xyz":[4.361104209999542,0.012377744650908474,2.7163603254426683]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8787848423408491,0.373738385885786,0.373738385886454],"properties":{"magmom":-0.003},"label":"Cu","xyz":[4.487482869394955,1.6429803415947546,5.432721016250433]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.377712033761874,0.373182029108925,0.875922908020143],"properties":{"magmom":-0.03},"label":"Pt","xyz":[2.285729029004531,1.6402900061730827,6.798344174205503]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.377712033762627,0.875922908021401,0.373182029108356],"properties":{"magmom":-0.03},"label":"Pt","xyz":[3.1300518506774764,3.8497959675107642,5.4327182992781955]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37771203376139,0.373182029108562,0.37318202910944304],"properties":{"magmom":-0.03},"label":"Pt","xyz":[2.285729027736055,1.6402900054540632,4.067092923236351]}]} | false | -38.944043 | -38.944043 | -0.80872 | 0 | true | -0.099715 | 0 | null | null | 7.058695 | false | true | true | FM | 7.06771 | 0.067398 | 7.06771 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249526 | DyHoMnIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.554730794177648,-0.135153657991389,2.408970058056341],[1.39081928361298,4.339293843045016,2.408970050915133],[-0.191136465517096,-0.135153658014165,5.148997590729882]],"pbc":[true,true,true],"a":5.154316235865877,"b":5.154317223664465,"c":5.154316234872198,"alpha":64.22707262302147,"beta":64.22706942687638,"gamma":64.22707397558317,"volume":105.82462459991456},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251024345345619,0.25102434534496604,0.25102434534559104],"properties":{"magmom":-0.023},"label":"Dy","xyz":[1.444497909867979,1.021414679167395,2.501944011166386]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9987091382397891,0.998709138240457,0.9987091382398241],"properties":{"magmom":-0.024},"label":"Ho","xyz":[5.746985459789934,4.063734027931787,9.954071760960197]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625046988082651,0.625046988082679,0.625046988082651],"properties":{"magmom":0.14300000000000002},"label":"Mn","xyz":[3.596778896533418,2.5433077732750236,6.229804389605826]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62513462211222,0.6251346221121921,0.124948284107496],"properties":{"magmom":0.017},"label":"Ir","xyz":[3.692887027732153,2.6112663682304547,3.655219583216453]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6251346221121991,0.12494828410751001,0.6251346221121991],"properties":{"magmom":0.017},"label":"Ir","xyz":[2.901614374689227,0.3732088580814628,5.025743924388428]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12494828410751001,0.6251346221121921,0.62513462211222],"properties":{"magmom":0.017},"label":"Ir","xyz":[1.319069062448988,2.611266368219061,5.025743920816585]}]} | false | -40.141987 | -40.141987 | -0.704563 | 0.141655 | false | null | 0 | null | null | 6.678775 | false | true | true | FM | 0.131918 | 0.001247 | 0.131918 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249527 | Th2CoSi4Pt | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.56867216032899,0.004553246700776,0.0],[-7.54790033290277,4.056031174217482,0.0],[0.0,0.0,4.154947293261018]],"pbc":[true,true,true],"a":8.568673370087845,"b":8.568674828796912,"c":4.154947293261018,"alpha":90.0,"beta":90.0,"gamma":151.71720951296626,"volume":144.5471629740034},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.605502530082063,0.39449746992202905,0.75],"properties":{"magmom":-0.0},"label":"Th","xyz":[2.210725087969157,1.602851038551081,3.116210469945764]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39610040987408,0.6038995901220331,0.25],"properties":{"magmom":-0.0},"label":"Th","xyz":[-1.164119362539008,2.451239106516561,1.0387368233152545]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.180137720953695,0.8198622790459991,0.25],"properties":{"magmom":-0.0},"label":"Co","xyz":[-4.644697694384681,3.3262071738591823,1.0387368233152545]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9671811046818701,0.032818895316147005,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[8.039744054801531,0.13751827667961797,3.116210469945764]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.042597605214645,0.957402394787877,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[-6.861372940441912,3.883447916935507,1.0387368233152545]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24391909396282901,0.7560809060366861,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-3.6167605725637664,3.06779834892524,3.116210469945764]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.742649971820419,0.25735002818061703,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[4.421071775029717,1.047201205520353,1.0387368233152545]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8219115634103881,0.17808843658860202,0.75],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.698496961833825,0.726074616685451,3.116210469945764]}]} | false | -31.772005 | -31.772005 | -0.926064 | 0 | true | -0.013722 | 0 | null | null | 9.393979 | false | true | false | NM | 0.000012 | 0 | 0.000012 | 0 | 0 | [
"Th4+",
"Co4+",
"Pt4+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249528 | LaSc(CuSi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.15959473707489,4.2579161000000005e-9,0.0],[-2.079797861179381,3.602314110240183,0.0],[0.0,0.0,7.344363939291183]],"pbc":[true,true,true],"a":4.15959473707489,"b":4.159594462468889,"c":7.344363939291183,"alpha":90.0,"beta":90.0,"gamma":120.00000996079389,"volume":110.0491744759084},"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":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Sc","xyz":[0.0,0.0,3.6721819696455915]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.312793104863963],"properties":{"magmom":-0.0},"label":"Cu","xyz":[-2.4082254689360554e-6,2.4015439423507816,2.2972663998218152]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6872068951360361],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.0797992841209765,1.200770172147314,5.047097539469361]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.28382313907225404],"properties":{"magmom":0.0},"label":"Si","xyz":[2.0797992841209765,1.200770172147314,2.084500427738689]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.716176860927745],"properties":{"magmom":0.0},"label":"Si","xyz":[-2.4082254689360554e-6,2.4015439423507816,5.259863511552487]}]} | false | -14.08981 | -14.08981 | -0.692412 | 0 | true | -0.011227 | 0 | null | null | 7.532248 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"Cu+",
"La3+",
"Sc3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249529 | HoCdNiPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.504768288805611,-0.104431614350419,2.430293249492562],[1.403130851005583,4.281946298884667,2.43029325468425],[-0.147687869741699,-0.10443161247738901,5.116390101750175]],"pbc":[true,true,true],"a":5.119586758365717,"b":5.119586467219742,"c":5.119586442461992,"alpha":63.2921522231772,"beta":63.29214831752048,"gamma":63.292149843039525,"volume":101.80223335246711},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24923932607832402,0.24923932607791202,0.24923932607793303],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.4356711750203675,1.0151724799387578,2.486654925557445]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9975623596593971,0.9975623596594331,0.9975623596594331],"properties":{"magmom":0.0},"label":"Cd","xyz":[5.746169946707223,4.0631543604499365,9.9526563252754]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626598157087755,0.626598157088281,0.6265981570882531],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.609337766262327,2.5521863466183596,6.251555154585322]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6263345138531661,0.6263345138528671,0.12393412946811101],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.6820175680573253,2.603578988069604,3.6784484384137848]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626334513852924,0.12393412946831,0.6263345138528531],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.902885646642006,0.3998610393453824,5.027944526874211]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12393412946844501,0.626334513853208,0.6263345138534291],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.3446218056704844,2.6035789890120125,5.027944529486482]}]} | false | -37.388155 | -37.388155 | -0.816288 | 0 | true | -0.025531 | 0 | null | null | 7.241777 | false | true | false | NM | 0.000098 | 0.000001 | 0.000098 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249530 | TmSeBr | 59 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.039374405626252,0.0,0.0],[0.0,5.554216851020061,0.0],[0.0,0.0,9.839163117376897]],"pbc":[true,true,true],"a":4.039374405626252,"b":5.554216851020061,"c":9.839163117376897,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":220.74714815900742},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.11582875776281301],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,1.1396580413114528]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.884171242237187],"properties":{"magmom":-0.0},"label":"Tm","xyz":[2.019687202813126,2.7771084255100305,8.699505076065444]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.9156471083509531],"properties":{"magmom":0.0},"label":"Se","xyz":[2.019687202813126,0.0,9.009201257019505]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.08435289164904701],"properties":{"magmom":0.0},"label":"Se","xyz":[0.0,2.7771084255100305,0.8299618603573929]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.6911380313346951],"properties":{"magmom":-0.0},"label":"Br","xyz":[0.0,2.7771084255100305,6.80021982692481]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.308861968665304],"properties":{"magmom":-0.0},"label":"Br","xyz":[2.019687202813126,0.0,3.038943290452078]}]} | false | -23.05508 | -23.05508 | -2.157917 | 0 | true | -0.039274 | 2.8865 | 2.2465 | -0.64 | -0.576041 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Tm3+",
"Br-",
"Se2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249531 | TbYPI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.115558088160335,-1.3319529000000002e-9,0.0],[-2.057778046354476,3.5641767754163562,0.0],[0.0,0.0,11.237674423453411]],"pbc":[true,true,true],"a":4.115558088160335,"b":4.115556654266319,"c":11.237674423453411,"alpha":90.0,"beta":90.0,"gamma":119.99999550489665,"volume":164.84068755763488},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.33333300000000304,0.132034814843237],"properties":{"magmom":0.0},"label":"Tb","xyz":[2.057777318876011,1.1880577361919034,1.4837642617692512]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.8679855380108421],"properties":{"magmom":-0.0},"label":"Y","xyz":[6.65149810176752e-7,2.3761154737157333,9.754138880431888]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9995094799773121],"properties":{"magmom":0.0},"label":"P","xyz":[0.0,0.0,11.23216211914026]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.31432023519882],"properties":{"magmom":-0.0},"label":"I","xyz":[6.65149810176752e-7,2.3761154737157333,3.5322284678676406]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.33333300000000304,0.6861489319697891],"properties":{"magmom":-0.0},"label":"I","xyz":[2.057777318876011,1.1880577361919034,7.7107183034767734]}]} | false | -23.691114 | -23.691114 | -1.759218 | 0 | true | -0.112068 | 0 | null | null | 4.464318 | false | true | false | NM | 0.000014 | 0 | 0.000014 | 0 | 0 | [
"P3-",
"Y3+",
"Tb2+",
"I-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249532 | CsNpF6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.330931071466508,-0.037138862502144,-0.551746327921781],[-0.6112747191932231,5.294194689322622,-0.567868229864892],[-0.034851282148891,-0.022637254308507,5.359375230686921]],"pbc":[true,true,true],"a":5.359536304029498,"b":5.359536222217972,"c":5.359536353123332,"alpha":96.27969955180423,"beta":96.27970630890552,"gamma":96.2797062367578,"volume":150.9572072275475},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Cs","xyz":[2.342402535062197,2.6172092862559855,2.119880336450124]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Np","xyz":[0.0,0.0,0.0]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32855080203152204,0.928066894606388,0.20304139340746702],"properties":{"magmom":-0.0},"label":"F","xyz":[1.1771015958224882,4.896568522041941,0.3798786114391522]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20304139341288102,0.32855080203541503,0.9280668946118801],"properties":{"magmom":-0.0},"label":"F","xyz":[0.8492205524865123,1.7108622986077422,4.675257821799219]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.071933105391039,0.796958606586436,0.6714491979615781],"properties":{"magmom":-0.0},"label":"F","xyz":[-0.12709108730038673,4.201382742639897,3.1062919002665343]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.796958606587118,0.671449197964584,0.071933105388119],"properties":{"magmom":-0.0},"label":"F","xyz":[3.8355845176378773,3.523556273904224,-0.43549714889897456]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.671449197968478,0.071933105393611,0.796958606592532],"properties":{"magmom":-0.0},"label":"F","xyz":[3.5077034743019064,0.33785005047002514,3.859882061461091]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9280668946089601,0.203041393413563,0.328550802038421],"properties":{"magmom":-0.0},"label":"F","xyz":[4.811896157424776,1.033035829872069,1.1334687726337103]}]} | false | -19.326574 | -19.326574 | -3.46547 | 0 | true | -0.059441 | 1.2253 | 2.2998 | 1.0745 | 1.098395 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"F-",
"Cs+",
"Np5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249533 | Dy3PaPt4 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.035996841654527,0.0,0.068941351582975],[0.0,4.490176409508591,0.0],[0.05547980870616501,0.0,5.555664865009361]],"pbc":[true,true,true],"a":7.036334590234504,"b":4.490176409508591,"c":5.555941873478659,"alpha":90.0,"beta":88.86646597776473,"gamma":90.0,"volume":175.5022071108623},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6857608362402481,0.24999900000000203,0.35710425843944904],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.84482315386313,1.1225396122007474,2.0312288606703435]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31961134007011005,0.75,0.6465734536002331],"properties":{"magmom":0.0},"label":"Dy","xyz":[2.284656150810491,3.3676323071314433,3.6141798565802548]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8145367952974991,0.75,0.8526507526502201],"properties":{"magmom":0.0},"label":"Dy","xyz":[5.778383219774806,3.3676323071314433,4.79319709620449]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18274237164276003,0.24999900000000203,0.14437574950773702],"properties":{"magmom":0.002},"label":"Pa","xyz":[1.293784688679416,1.1225396122007474,0.8147017849920574]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.444311199259509,0.75,0.158900450989463],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.1349879613258596,3.3676323071314433,0.9134290671967047]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9627209602838601,0.75,0.33004799469433904],"properties":{"magmom":-0.0},"label":"Pt","xyz":[6.792012635561349,3.3676323071314433,1.9000073320893645]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05138656654860001,0.24999900000000203,0.661155639848203],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.39823650836320024,1.1225396122007474,3.676701817958514]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5389319306574051,0.24999900000000203,0.8491917002703601],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.8390363550581417,1.1225396122007474,4.754979188560344]}]} | false | -48.665199 | -48.665199 | -1.321162 | 0 | true | -0.07655 | 0 | null | null | 7.526811 | false | true | false | NM | 0.003543 | 0.00002 | 0.003543 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249534 | CeYI6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.843176537040421,-0.11032817843623201,5.038243554857535],[2.487351250328781,6.376650549074586,5.037513826619641],[-0.16369214266394103,-0.10895867856703101,8.496261146875318]],"pbc":[true,true,true],"a":8.498537258971162,"b":8.498537169472723,"c":8.498536379113057,"alpha":54.736693588714935,"beta":54.73669574721174,"gamma":54.73669844680703,"volume":380.8196363069805},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.166617710339856,0.166617710339856,0.166617710340169],"properties":{"magmom":1.014},"label":"Ce","xyz":[1.527357166182517,1.025925840102652,3.0944272035861338]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8334974807324471,0.83349748073244,0.8334974807324681],"properties":{"magmom":-0.001},"label":"Y","xyz":[7.640534416150211,5.13214712529484,15.479730655498276]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.592719001791266,0.226999327977033,0.9256633666392061],"properties":{"magmom":-0.008},"label":"I","xyz":[4.469184008512788,1.2812427243652205,11.994452640996597]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7622583016425961,0.062139856504593007,0.43010595438243304],"properties":{"magmom":-0.008},"label":"I","xyz":[5.300426809491464,0.2652818037479839,7.807765870972702]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.062139856510071007,0.43010595439189103,0.762258301639363],"properties":{"magmom":-0.008},"label":"I","xyz":[1.3702828968565763,2.652724935782882,8.956086015823912]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43010595438229804,0.7622583016384321,0.06213985650349901],"properties":{"magmom":-0.008},"label":"I","xyz":[4.8291233088682795,4.8064313345468275,6.534821735014754]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.925663366632242,0.592719001780459,0.22699932797402703],"properties":{"magmom":-0.008},"label":"I","xyz":[7.771620175528512,3.6527016482529655,9.578193228304407]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.226999327969217,0.925663366635284,0.5927190017888291],"properties":{"magmom":-0.008},"label":"I","xyz":[3.7588229640662663,5.813005513555541,10.84261533523158]}]} | false | -26.477751 | -26.477751 | -1.664459 | 0.004553 | false | null | 1.2223 | 2.9603 | 1.738 | 1.751418 | false | false | true | FM | 1.000007 | 0.002626 | 1.000007 | 1 | 1 | [
"Y3+",
"I-",
"Ce3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249535 | CeLu(ZnGa)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.380651284437077,0.0,0.0],[-2.190325642218538,3.793754531067131,0.0],[0.0,0.0,7.393967876932764]],"pbc":[true,true,true],"a":4.380651284437077,"b":4.380650620735741,"c":7.393967876932764,"alpha":90.0,"beta":90.0,"gamma":120.00000501182721,"volume":122.88120732832486},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.995},"label":"Ce","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":0.098},"label":"Lu","xyz":[0.0,0.0,3.696983938466382]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.712222929168227],"properties":{"magmom":0.004},"label":"Zn","xyz":[-2.190325619849407e-6,2.5291709519629157,5.26615345948483]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.287777070831772],"properties":{"magmom":0.004},"label":"Zn","xyz":[2.1903278325441566,1.2645835791042115,2.1278144174479268]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.27597864250346005],"properties":{"magmom":-0.029},"label":"Ga","xyz":[-2.190325619849407e-6,2.5291709519629157,2.0405772173900947]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7240213574965391],"properties":{"magmom":-0.029},"label":"Ga","xyz":[2.1903278325441566,1.2645835791042115,5.353390659542662]}]} | false | -18.845783 | -18.845783 | -0.574572 | 0.005349 | false | null | 0 | null | null | 4.85629 | false | true | true | FM | 1.34542 | 0.010949 | 1.34542 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249536 | Yb2PaRh3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.293611006237763,0.269566509613758,2.919117658235053],[1.685352584882331,4.766899259829029,2.919117660445154],[-9.214609100000001e-9,-2.5269283e-9,5.838234339837404]],"pbc":[true,true,true],"a":5.1989431116921345,"b":5.838235161780561,"c":5.838234339837404,"alpha":59.9999991520006,"beta":55.84158773719022,"gamma":55.84159367144872,"volume":116.83997980700184},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.752948771462271,0.749016742845896,0.74901674284591],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.495226429057187,3.7734571274199915,8.75734932572862]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49705122853772804,0.5009832571541041,0.5009832571540891],"properties":{"magmom":-0.0},"label":"Yb","xyz":[2.9784780483246647,2.5221250812248317,5.838237747418386]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":-0.0},"label":"Pa","xyz":[2.8941759508570666,0.7643414756713613,2.9191175364322275]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.125],"properties":{"magmom":0.0},"label":"Rh","xyz":[1.590046740179351,3.013007850778997,2.9191175375372787]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.625],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.747370443130881,0.6295582196010181,4.378675877233404]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.125],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.7473704477381855,0.6295582208644823,1.4595587073147014]}]} | false | -37.971188 | -37.971188 | -0.917278 | 0.018124 | false | null | 0 | null | null | 8.484351 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249537 | Th3PtSe2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.533591253257282,0.140286311163504,-5.006082979799629],[-0.503100164487977,4.059443909063225,-6.242513606375748],[-0.042215477271290006,-0.140286311028804,7.461884388057226]],"pbc":[true,true,true],"a":7.463322263433684,"b":7.4633216969473235,"c":7.463322384589552,"alpha":147.79074764146017,"beta":132.4678133799929,"gamma":58.58164888054249,"volume":162.12498565759412},"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":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6548552766614291,0.65485527666145,0.9999999999999921],"properties":{"magmom":0.0},"label":"Th","xyz":[3.2520281564075764,2.609929184241221,0.09568155856435359]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34514472333857005,0.345144723338549,7.1e-15],"properties":{"magmom":0.0},"label":"Th","xyz":[1.7362474550904343,1.4495147249566998,-3.8823937566824998]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.7456878879929962,6.735000057656038e-11,1.2279007041287984]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17060494424539702,0.6706049442456391,0.5000000000001991],"properties":{"magmom":-0.0},"label":"Se","xyz":[0.5855688308466901,2.676073539085655,-1.3093808025826998]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.829395055754602,0.329395055754361,0.49999999999980105],"properties":{"magmom":-0.0},"label":"Se","xyz":[4.40270678065132,1.38337037011227,-2.4773313955354457]}]} | false | -51.723831 | -51.723831 | -1.634394 | 0 | true | -0.042705 | 0 | null | null | 7.663981 | 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-3249538 | UNi4Au | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.227110439953313,0.0,2.440523063874661],[1.409036813317771,3.985357696512059,2.440523063874661],[0.0,0.0,4.881046127749322]],"pbc":[true,true,true],"a":4.88104655753932,"b":4.881046356646981,"c":4.881046127749322,"alpha":60.0000015512808,"beta":60.000002912764366,"gamma":60.000000580359234,"volume":82.22877361469577},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.048},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624167032757128,0.6241670327570501,0.127498901728884],"properties":{"magmom":-0.135},"label":"Ni","xyz":[3.51789730725634,2.4875288879074042,3.6689160988838343]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6241670327570501,0.12749890172882,0.6241670327570501],"properties":{"magmom":-0.135},"label":"Ni","xyz":[2.8180736266355,0.5081287293017874,4.881046127749249]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.127498901728671,0.6241670327570501,0.624167032757128],"properties":{"magmom":-0.135},"label":"Ni","xyz":[1.4184262653938493,2.4875288879074042,4.881046127749266]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624167032757128,0.6241670327570501,0.6241670327569151],"properties":{"magmom":-0.135},"label":"Ni","xyz":[3.51789730725634,2.4875288879074042,6.093176156614699]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.001},"label":"Au","xyz":[1.4090368133177709,0.9963394241280148,2.440523063874661]}]} | false | -30.0136 | -30.0136 | -0.271289 | 0 | true | -0.039883 | 0 | null | null | 9.966752 | false | true | true | FM | 0.546359 | 0.006644 | 0.546359 | 4 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249539 | La2SiPtBr2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.337748958250978,-2.3000756e-9,0.0],[-2.168873983096758,3.75660266445884,-1e-16],[0.0,-1e-16,11.055128880182052]],"pbc":[true,true,true],"a":4.337748958250978,"b":4.337750330894258,"c":11.055128880182052,"alpha":90.0,"beta":90.0,"gamma":119.99998199714757,"volume":180.1455282718008},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.172863506761707],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,-1.72863506761707e-17,1.9110283459308923]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8248050645711651],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,-8.248050645711651e-17,9.118326289861109]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9897827145360121],"properties":{"magmom":0.0},"label":"Si","xyz":[2.168876813342689,1.2521996344186854,10.942175472572055]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.009597288756076001],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-1.8381884712333525e-6,2.5044030277400755,0.10609926409874221]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6572091064612801],"properties":{"magmom":-0.0},"label":"Br","xyz":[-1.8381884712333525e-6,2.5044030277400755,7.265531373158738]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.345740318913755],"properties":{"magmom":-0.0},"label":"Br","xyz":[2.168876813342689,1.2521996344186854,3.8222037846668058]}]} | false | -26.152693 | -26.152693 | -1.774559 | 0 | true | -0.067819 | 0.132 | 5.7852 | 5.6532 | 5.685462 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"Pt2+",
"La2+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249540 | HoTm(GePt2)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.465661690953179,0.0066393319788670005,0.0],[-4.09729402884602,3.617411710455577,0.0],[0.0,0.0,7.150133702619236]],"pbc":[true,true,true],"a":5.465665723467023,"b":5.465664263541843,"c":7.150133702619236,"alpha":90.0,"beta":90.0,"gamma":138.48981738341138,"volume":141.5637232408191},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.049190455519067006,0.950807544489187,0.75],"properties":{"magmom":0.0},"label":"Ho","xyz":[-3.626879686326191,3.43978893758908,5.362600276964427]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.951367551260155,0.048630448730619,0.25],"properties":{"magmom":-0.0},"label":"Tm","xyz":[5.000599931734497,0.18223279972958867,1.787533425654809]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23388454035791903,0.7661134596411331,0.25],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-1.8606583312657097,2.772900637551632,1.787533425654809]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.766336135691794,0.23366186430889901,0.75],"properties":{"magmom":-0.0},"label":"Ge","xyz":[3.231152697841855,0.8503391242501532,5.362600276964427]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635792670871659,0.36420532911876,0.051093399453606005],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.982771324299835,1.3217018611761775,0.36532463741461557]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635792670871659,0.36420532911876,0.44890660054639403],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.982771324299835,1.3217018611761775,3.2097422138950025]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.363813987713868,0.636184012296325,0.549726668220586],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-0.6181487795484362,2.303754977928329,3.930619177672595]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.363813987713868,0.636184012296325,0.9502723317794091],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-0.6181487795484362,2.303754977928329,6.7945742261225215]}]} | false | -38.837956 | -38.837956 | -1.125804 | 0 | true | -0.025802 | 0 | null | null | 7.971324 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249541 | NdDy3Te4 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.300506257633655,-3.4152132000000004e-9,0.0],[-2.150253634739442,3.724348855525219,0.0],[0.0,0.0,14.917130999543152]],"pbc":[true,true,true],"a":4.300506257633655,"b":4.300507538810064,"c":14.917130999543152,"alpha":90.0,"beta":90.0,"gamma":119.9999979737912,"volume":238.9215048364201},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6190954289692671],"properties":{"magmom":-0.0},"label":"Nd","xyz":[-2.4875350188083753e-6,2.482900477328013,9.23512761515292]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8859709472185171],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-2.4875350188083753e-6,2.482900477328013,13.216144681447952]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.118558324521274],"properties":{"magmom":-0.0},"label":"Dy","xyz":[2.15025511042923,1.2414483747819893,1.7685500579701936]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.376327053985598],"properties":{"magmom":0.0},"label":"Dy","xyz":[2.15025511042923,1.2414483747819893,5.613719962975313]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.247073501296689],"properties":{"magmom":-0.0},"label":"Te","xyz":[-2.4875350188083753e-6,2.482900477328013,3.6856277853585047]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.759335591546289],"properties":{"magmom":0.0},"label":"Te","xyz":[2.15025511042923,1.2414483747819893,11.327108491711586]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49095445530790005],"properties":{"magmom":-0.0},"label":"Te","xyz":[0.0,0.0,7.323631924637299]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0026836971544590004],"properties":{"magmom":0.0},"label":"Te","xyz":[0.0,0.0,0.040033062016166104]}]} | false | -29.9472 | -29.9472 | -1.568161 | 0 | true | -0.031411 | 0 | null | null | 6.636289 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"Nd2+",
"Dy2+",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249542 | DyInCuPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.537726500724541,-0.120011467731908,2.4238804246106502],[1.399427892679263,4.318213676477526,2.423880425411669],[-0.16972141242562602,-0.120011468006655,5.141726428224776]],"pbc":[true,true,true],"a":5.145926627982143,"b":5.14592694266253,"c":5.1459264251438706,"alpha":63.7617502165552,"beta":63.76174501981273,"gamma":63.76175087925809,"volume":104.35374118168771},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24742395614756402,0.24742395614766302,0.24742395614744303],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.4270010849697183,1.0090420869984407,2.4716384622692757]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9960217949890471,0.9960217949891401,0.9960217949889191],"properties":{"magmom":0.0},"label":"In","xyz":[5.744488950193068,4.06196686189895,9.94974704989949]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6268177598646141,0.6268177598647,0.626817759864508],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.615129421306173,2.5562823844109914,6.261588037946568]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626878290644434,0.6268782906434961,0.12597990771057202],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.7004917095538676,2.6166427907304013,3.6867102560134932]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626878290643546,0.125979907711631,0.6268782906439011],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.914507360043891,0.3935429927706628,5.048074923885786]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125979907710799,0.6268782906433611,0.626878290644661],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.3425386621123678,2.6166427905921434,5.048074924288458]}]} | false | -37.494643 | -37.494643 | -0.849587 | 0 | true | -0.004175 | 0 | null | null | 8.705707 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249543 | YbCdInAg3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.847335627169431,0.011564209663068,2.75191231614669],[1.607542077087064,4.573029493262878,2.751912320426149],[0.016282583803703,0.011564204014994,5.573995630050315]],"pbc":[true,true,true],"a":5.574030660942855,"b":5.574030112510226,"c":5.5740314079820035,"alpha":60.248197258967465,"beta":60.24819523263518,"gamma":60.24820300410214,"volume":123.1476964054395},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.752455538380807,0.752455538380672,0.7524555383810281],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.8692603985006215,3.4584044723498333,8.335567212808602]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37443721442333805,0.37443721442328803,0.37443721442343003],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.4230432323481077,1.7209725637245377,4.1479481625171495]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00017105011375600002,0.00017105011369900001,0.00017105011385600002],"properties":{"magmom":-0.0},"label":"In","xyz":[0.001106892703316005,0.0007861733325632804,0.0018948624171749536]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37435723959695305,0.8742217178882611,0.37435723959688905],"properties":{"magmom":-0.0},"label":"Ag","xyz":[3.226078884122089,4.006499988654732,5.52264543211711]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37435723959691103,0.374357239597053,0.8742217178879911],"properties":{"magmom":-0.0},"label":"Ag","xyz":[2.4306647876858642,1.7263855216013824,6.933304633376013]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8742217178882251,0.37435723959701706,0.37435723959681105],"properties":{"magmom":-0.0},"label":"Ag","xyz":[4.845536596805484,1.726385524424491,5.522645429977603]}]} | false | -24.044758 | -24.044758 | -0.16466 | 0.115226 | false | null | 0 | null | null | 6.900189 | false | true | false | NM | 0.000014 | 0 | 0.000014 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249544 | NpScIr6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.866332866977766,-1.0217078000000001e-9,2.809579349674471],[1.62211095469598,4.588022379410039,2.809579349674472],[-2.8898251000000002e-9,-2.0434148e-9,5.619156709368499]],"pbc":[true,true,true],"a":5.619157560911178,"b":5.619157359020059,"c":5.619156709368499,"alpha":59.999992139008256,"beta":59.99999332753279,"gamma":59.99999436316371,"volume":125.458035885091},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.019},"label":"Np","xyz":[3.2442219093919604,2.294011188172458,5.619157704358721]},{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.001},"label":"Sc","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.433166433488883,-5.108539000000001e-10,1.4047896748372355]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.81105547734799,2.2940111897050195,1.404789674837236]},{"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":[3.244221910836873,2.2940111891941655,2.8095793496744714]},{"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":[-1.4449125500000001e-9,-1.0217074e-9,2.8095783546842497]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.4331664320439703,-1.5325613e-9,4.214368029521485]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.8110554759030775,2.294011188683312,4.214368029521486]}]} | false | -51.687558 | -51.687558 | -0.615205 | 0.014342 | false | null | 0 | null | null | 9.786069 | false | true | false | NM | 0.016695 | 0.000133 | 0.016695 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249545 | PmNpO4 | 123 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.796356738264761,0.0,0.0],[0.0,3.796356738264761,0.0],[0.0,0.0,5.461887130360712]],"pbc":[true,true,true],"a":3.796356738264761,"b":3.796356738264761,"c":5.461887130360712,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":78.7184896186612},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pm","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":2.223},"label":"Np","xyz":[1.8981783691323806,1.8981783691323806,2.730943565180356]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7304429178714],"properties":{"magmom":-0.051000000000000004},"label":"O","xyz":[1.8981783691323806,0.0,3.989596772584927]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.269557082128599],"properties":{"magmom":-0.051000000000000004},"label":"O","xyz":[0.0,1.8981783691323806,1.4722903577757807]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.269557082128599],"properties":{"magmom":-0.051000000000000004},"label":"O","xyz":[1.8981783691323806,0.0,1.4722903577757807]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.7304429178714],"properties":{"magmom":-0.051000000000000004},"label":"O","xyz":[0.0,1.8981783691323806,3.989596772584927]}]} | false | -26.360401 | -26.360401 | -3.617908 | 0 | true | -0.088741 | 0.4601 | 6.4386 | 5.9785 | 6.050583 | false | false | true | FM | 1.999956 | 0.025406 | 1.999956 | 1 | 1 | [
"Pm3+",
"O2-",
"Np5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249546 | CaNdCdIn | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.703668733740882,-1.0584341e-9,2.715663905609514],[1.5678899092593581,4.434661818680652,2.715663905609514],[0.0,0.0,5.431327811219029]],"pbc":[true,true,true],"a":5.431328567210961,"b":5.431328995913581,"c":5.431327811219029,"alpha":60.00000721543088,"beta":60.000004604400374,"gamma":60.00000219574948,"volume":113.29304522937227},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ca","xyz":[4.70366898225018,3.325996363216664,8.146991716828543]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.56788966075006,1.1086654544055545,2.7156639056095147]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Cd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"In","xyz":[3.13577932150012,2.217330908811109,5.431327811219029]}]} | false | -20.315194 | -20.315194 | -0.530223 | 0 | true | -0.020265 | 0 | null | null | 4.275633 | 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-3249547 | LuPaB4 | 191 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.197578653002724,4.0202212e-9,0.0],[-1.598790319540706,2.769184256799008,0.0],[0.0,0.0,7.839641474957785]],"pbc":[true,true,true],"a":3.197578653002724,"b":3.197579073918352,"c":7.839641474957785,"alpha":90.0,"beta":90.0,"gamma":120.00001611995783,"volume":69.41755163591763},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"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":[0.0,0.0,3.9198207374788927]},{"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":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333499999999805,0.26157276021138604],"properties":{"magmom":-0.0},"label":"B","xyz":[1.5987873966972561,0.9230660369202407,2.0506366596723695]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.26157276021138604],"properties":{"magmom":-0.0},"label":"B","xyz":[-6.62025556282161e-7,1.8461209930832374,2.0506366596723695]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333499999999805,0.7384262397886161],"properties":{"magmom":-0.0},"label":"B","xyz":[1.5987873966972561,0.9230660369202407,5.788996975643958]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.7384262397886161],"properties":{"magmom":-0.0},"label":"B","xyz":[-6.62025556282161e-7,1.8461209930832374,5.788996975643958]}]} | false | -24.797339 | -24.797339 | -0.743787 | 0 | true | -0.007741 | 0 | null | null | 8.38953 | false | true | false | NM | 0.000362 | 0.000005 | 0.000362 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249548 | PmNd(GaSi)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.701624956404682,0.013051076056432001,-1.545739258232412],[-1.105689254504773,3.730218394927059,-4.445326590598699],[-0.015927391696784,-0.013051080380965,5.907418349963894]],"pbc":[true,true,true],"a":5.907453540107092,"b":5.907453469851742,"c":5.907454237994189,"alpha":138.88405071307113,"beta":105.32326280450117,"gamma":88.98896611102195,"volume":125.28202410331858},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0000672463904365,0.9999999999999921,0.0000672463904294],"properties":{"magmom":-0.0},"label":"Pm","xyz":[-1.1053069118664238,3.7302183949267387,-4.4450332834235455]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499982018883237,0.5,0.9999820188832441],"properties":{"magmom":0.0},"label":"Nd","xyz":[2.2819382240613804,1.858583655110858,2.911806997687349]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.583475836153695,0.25046557544278103,0.33301126071091103],"properties":{"magmom":-0.0},"label":"Ga","xyz":[3.044519292693777,0.9375601275960804,-0.04806595644990208]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.082546685268127,0.749533424557242,0.333011260710947],"properties":{"magmom":-0.0},"label":"Ga","xyz":[-0.3634048134206539,2.7926545342324327,-1.4922796825142526]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9173803906587701,0.25041728400650204,0.666964106652223],"properties":{"magmom":0.0},"label":"Si","xyz":[4.9430522312537155,0.9373793582927578,1.4088185064911605]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41654582264573004,0.7495817159934931,0.666963106652254],"properties":{"magmom":0.0},"label":"Si","xyz":[1.5355606264888049,2.7928352875962,-0.035976669862247006]}]} | false | -17.343044 | -17.343044 | -0.77776 | 0 | true | -0.08067 | 0 | null | null | 6.139177 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249549 | YbHo(CoIr)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2813611607084034,-4.3893816000000005e-9,2.471845331069904],[1.497369235010707,4.325368584159602,2.350170454177075],[-0.11275514561246401,-0.22875091780741902,5.138987566126002]],"pbc":[true,true,true],"a":4.943690193484468,"b":5.145311378184829,"c":5.145311837980034,"alpha":65.64132880068712,"beta":61.28799521410946,"gamma":61.28799392549501,"volume":97.82670697789018},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7449166503358661,0.75508334966404,0.7550833496641971],"properties":{"magmom":-0.302},"label":"Yb","xyz":[4.234756259327812,3.093287786532329,7.496257268303508]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.503830235294643,0.496169764705626,0.49616976470522905],"properties":{"magmom":-0.221},"label":"Ho","xyz":[2.8440828479259266,2.0326178213914607,4.9612841875399045]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6246332108091931,0.12443761234445101,0.124437612344216],"properties":{"magmom":1.79},"label":"Co","xyz":[2.846578439750294,0.5097733183472627,2.4759296282855097]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.126492564502129,0.12443761234466401,0.12443761234424501],"properties":{"magmom":1.79},"label":"Co","xyz":[0.7138584240813635,0.5097733205347067,1.2446029974958988]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125064169529039,0.12405025148537101,0.6258224094564251],"properties":{"magmom":0.278},"label":"Ir","xyz":[0.6506292112816126,0.39340560953535975,3.816772100208229]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125064169529139,0.625822409455828,0.12405025148568401],"properties":{"magmom":0.278},"label":"Ir","xyz":[1.4585447963482068,2.6785359796927595,2.4174213197594656]}]} | false | -34.100831 | -34.100831 | -0.667849 | 0.050906 | false | null | 0 | null | null | 6.81667 | false | true | true | FiM | 3.566479 | 0.036457 | 3.566479 | 6 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249550 | CeZnPt3Au | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.663796037132773,1.0844229000000002e-9,2.853667468634001],[1.458851321450573,4.429756839798581,2.853668456005333],[0.030816484601015003,0.022295822037700003,5.18752993633058]],"pbc":[true,true,true],"a":5.4675782113761615,"b":5.467578668354051,"c":5.18766938034118,"alpha":58.19847138605439,"beta":58.19848044987589,"gamma":60.00000252807059,"volume":106.57821630182944},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0034787529198680002,0.0034787529195910005,0.9895617412405711],"properties":{"magmom":0.581},"label":"Ce","xyz":[0.05179399153628346,0.03747312202131627,5.153235568044593]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.622513171344806,0.622513171343371,0.132460485966426],"properties":{"magmom":0.018000000000000002},"label":"Zn","xyz":[3.8155105907415523,2.7605352947202064,4.240034522705009]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623025271330611,0.12525257202290802,0.628695885315949],"properties":{"magmom":0.003},"label":"Pt","xyz":[3.107761868744537,0.5688557298713027,5.396714988672688]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125252572022645,0.623025271330497,0.628695885317029],"properties":{"magmom":0.003},"label":"Pt","xyz":[1.5124278864860898,2.7738677487543257,5.396715480163707]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623025271329773,0.623025271330362,0.6286958853174901],"properties":{"magmom":0.003},"label":"Pt","xyz":[3.8339382289073747,2.773867749293534,6.8171932389525995]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252702961052307,0.25270296105328705,0.24189011684251202],"properties":{"magmom":0.01},"label":"Au","xyz":[1.5546653200553422,1.1248058094349886,2.6970729103023956]}]} | false | -41.648968 | -41.648968 | -0.849078 | 0 | true | -0.023974 | 0 | null | null | 8.805026 | false | true | true | FM | 0.743675 | 0.006978 | 0.743675 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249551 | AcAl3Au | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.150536133095692,-0.029579283112073,-4.7994260022208275],[-0.597861237596216,4.107358378593449,-4.799426001965866],[0.025770706811779003,0.029579284123316,6.345137632539616]],"pbc":[true,true,true],"a":6.34525926002364,"b":6.345259715564678,"c":6.345258910340008,"alpha":138.91456208184547,"beta":138.91456268452944,"gamma":59.505150173606744,"volume":109.24381821125047},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9931360291758151,0.9931360291759851,3.553e-13],"properties":{"magmom":0.0},"label":"Ac","xyz":[3.5282894386688612,4.0497893387432295,-9.53296576408285]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.394751230260844,0.39475123026081604,0.9999999999999291],"properties":{"magmom":-0.0},"label":"Al","xyz":[1.4281934925270272,1.639287598796424,2.555978994794834]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24951702687513203,0.7495170268752811,0.5000000000003121],"properties":{"magmom":0.0},"label":"Al","xyz":[0.6004076119866499,3.085944147517082,-1.6222211982109265]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7495170268751321,0.24951702687528102,0.5000000000003121],"properties":{"magmom":0.0},"label":"Al","xyz":[2.9746062973326044,1.0174753166643207,-1.6222211983384076]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.629078686813066,0.629078686812647,0.9999999999990971],"properties":{"magmom":-0.0},"label":"Au","xyz":[2.260682764746563,2.594823202620764,0.3067044188291653]}]} | false | -28.561477 | -28.561477 | -0.67773 | 0 | true | -0.099634 | 0 | null | null | 7.406703 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249552 | LiPrSnPd | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.220400833931264,-2.2708100000000001e-10,2.436650420851102],[1.406799945813582,3.979032118736259,2.436650420851102],[-4.7940448e-9,-3.3899018000000002e-9,4.873298858309264]],"pbc":[true,true,true],"a":4.873299546763113,"b":4.873299494481097,"c":4.873298858309264,"alpha":59.99999091148841,"beta":59.99999126637645,"gamma":59.99999769290998,"volume":81.83784616268629},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Li","xyz":[4.2204005812131005,2.9842740863394575,7.309949775008601]},{"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":[2.8136003874754008,1.9895160575596382,4.8732998500057345]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.4068001937377004,0.9947580287798191,2.4366499250028673]}]} | false | -20.686635 | -20.686635 | -0.812309 | 0 | true | -0.05056 | 0.4336 | 6.8567 | 6.4231 | 6.539337 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249553 | RbPm2Cl5 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.472550821830969,0.8615845562912631,0.0],[-2.990122107268928,6.9022136323835,0.0],[0.0,0.0,3.951935367140496]],"pbc":[true,true,true],"a":7.522057147648262,"b":7.522059773987375,"c":3.951935367140496,"alpha":90.0,"beta":90.0,"gamma":106.84568602552305,"volume":214.0106781438888},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9158337349673571,0.084165265030996,0.750000999999997],"properties":{"magmom":0.0},"label":"Rb","xyz":[6.59194970925752,1.3699948418485315,2.9639554772907273]},{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.566258870789845,0.43374212921089805,0.25000099999999703],"properties":{"magmom":-0.0},"label":"Pm","xyz":[2.934456260882331,3.4816607351139663,0.9879877937204794]},{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.290531642074185,0.7094703579268391,0.750000999999997],"properties":{"magmom":0.0},"label":"Pm","xyz":[0.0496094590603115,5.147233552179689,2.9639554772907273]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47567728263485504,0.14581904198630002,0.750000999999997],"properties":{"magmom":-0.0},"label":"Cl","xyz":[3.118505928175396,1.4163103799557273,2.9639554772907273]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8541799580040741,0.524320717364474,0.750000999999997],"properties":{"magmom":-0.0},"label":"Cl","xyz":[4.8151201788842695,4.354921863243999,2.9639554772907273]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125328809162354,0.8746731908435451,0.25000099999999703],"properties":{"magmom":-0.0},"label":"Cl","xyz":[-1.6788537486714932,6.145162588153351,0.9879877937204794]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5799126953972901,0.807722993036954,0.25000099999999703],"properties":{"magmom":-0.0},"label":"Cl","xyz":[1.91823671055201,6.074720476080811,0.9879877937204794]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19227800697003503,0.42008730460000204,0.25000099999999703],"properties":{"magmom":-0.0},"label":"Cl","xyz":[0.18069484253647394,3.06519608192122,0.9879877937204794]}]} | false | -15.218 | -15.218 | -2.246214 | 0 | true | -0.068178 | 0.454 | 5.0928 | 4.6388 | 4.669097 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249554 | LaPrGaSi | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.142493664135867,-0.000737426220241,0.0],[-4.481930963455615,4.200300066662468,0.0],[0.0,0.0,4.103124982469559]],"pbc":[true,true,true],"a":6.142493708401068,"b":6.142493452270577,"c":4.103124982469559,"alpha":90.0,"beta":90.0,"gamma":136.86476573415084,"volume":105.84836216804834},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6437041609710471,0.35629583902883105,0.5],"properties":{"magmom":0.079},"label":"La","xyz":[2.357055377248836,1.4960747520979807,2.0515624912347796]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.359216368712857,0.6407836312871851,0.0],"properties":{"magmom":0.092},"label":"Pr","xyz":[-0.6654637290689434,2.691218633642753,0.0]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06527802618414501,0.934721973816472,0.0],"properties":{"magmom":-0.011},"label":"Ga","xyz":[-3.7883894944269887,3.9260646312040874,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.931802444131946,0.068197555867513,0.5],"properties":{"magmom":-0.004},"label":"Si","xyz":[5.417933872032194,0.2857630629021447,2.0515624912347796]}]} | false | -20.61591 | -20.61591 | -0.774591 | 0 | true | -0.01037 | 0 | null | null | 6.136596 | false | true | true | FM | 0.451934 | 0.00427 | 0.451934 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249555 | KNpS2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.899679592466924,-0.062960259995623,6.591734979700402],[1.755751635979815,3.482642651421355,6.59173498010192],[-0.10412252290160201,-0.062960253984764,7.658173060759193]],"pbc":[true,true,true],"a":7.659140615032967,"b":7.65914053224278,"c":7.65913964632419,"alpha":31.38649132464168,"beta":31.386490710100237,"gamma":31.386494031864736,"volume":108.17694618575467},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.001},"label":"K","xyz":[2.7756543527725683,1.678361068720484,10.420821510280758]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":3.924},"label":"Np","xyz":[0.0,0.0,0.0]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.265530611942125,0.265530611942004,0.26553061194099503],"properties":{"magmom":-0.063},"label":"S","xyz":[1.4740423976629515,0.8913124832740278,5.534094225119567]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7344693880578741,0.7344693880579951,0.7344693880590041],"properties":{"magmom":-0.063},"label":"S","xyz":[4.077266307882181,2.4654096541669372,15.307548795441932]}]} | false | -28.157663 | -28.157663 | -1.880025 | 0 | true | -0.06002 | 0 | null | null | 5.71897 | false | true | true | FM | 4 | 0.036976 | 4 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249556 | AcNpI6 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.724760288138387,0.17239383380890902,0.0],[-6.521829713593214,4.143354447542483,0.0],[0.0,0.0,10.222464124332909]],"pbc":[true,true,true],"a":7.726683709272381,"b":7.7266842106480205,"c":10.222464124332909,"alpha":90.0,"beta":90.0,"gamma":146.29351901529714,"volume":338.6778329958713},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7413709805459591,0.258629019455256,0.75],"properties":{"magmom":0.002},"label":"Ac","xyz":[4.040178685418875,1.1993994836344744,7.666848093249682]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.259871623486887,0.740128376508081,0.25],"properties":{"magmom":3.993},"label":"Np","xyz":[-2.8195452406583534,3.1114144660282044,2.555616031083227]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07979394911168901,0.9202060508770201,0.75],"properties":{"magmom":-0.003},"label":"I","xyz":[-5.385038035906308,3.8264958183589224,7.666848093249682]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.910007998768925,0.089992001261364,0.25],"properties":{"magmom":-0.035},"label":"I","xyz":[6.4426811429663955,0.5297485263740692,2.555616031083227]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6517792245246591,0.348220775456184,0.071786601703308],"properties":{"magmom":-0.026000000000000002},"label":"I","xyz":[2.763801669981108,1.555164818025876,0.7338359605198417]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35269849951860904,0.6473015004929501,0.9393614880562061],"properties":{"magmom":-0.01},"label":"I","xyz":[-1.4970787968010475,2.74280259747905,9.602589111434543]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35269849951860904,0.6473015004929501,0.560638511943793],"properties":{"magmom":-0.01},"label":"I","xyz":[-1.4970787968010475,2.74280259747905,5.731107075064811]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6517792245246591,0.348220775456184,0.42821339829668403],"properties":{"magmom":-0.026000000000000002},"label":"I","xyz":[2.763801669981108,1.555164818025876,4.377396101646531]}]} | false | -39.004278 | -39.004278 | -1.627554 | 0 | true | -0.0461 | 1.4962 | 5.1218 | 3.6256 | 3.690527 | false | false | true | FM | 4.000022 | 0.011811 | 4.000022 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249557 | PmMgSi2Pt | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.006254988766591,0.20987333324047103,-4.60233090779632],[-0.40562510992217804,3.9911887209048422,-4.602330912404062],[-0.17987776069211903,-0.20987333371871,6.099112238606369]],"pbc":[true,true,true],"a":6.105372686075762,"b":6.105372139595376,"c":6.105372463995609,"alpha":140.6744729284865,"beta":140.6744710785518,"gamma":56.83062794612743,"volume":90.65045990831277},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Pm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.0},"label":"Mg","xyz":[2.8133460837483386,1.050265513297209,-1.552774789645071]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.390810297268529,0.39081029726818806,0.9999999999998861],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.2272854726131723,1.4319449765040202,2.501835616398453]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6091887027314651,0.609188702731806,1.137e-13],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.193463044909221,2.559239542860504,-5.607375993330592]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.6074060344039547,2.9409232071293943,-1.5527747919489419]}]} | false | -21.470705 | -21.470705 | -0.921672 | 0 | true | -0.303289 | 0 | null | null | 6.85058 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249558 | SmAlCuSi | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.036265140631114,-0.013780775971927001,0.0],[-8.093889809278707,4.017862029258771,0.0],[0.0,0.0,4.025939262126686]],"pbc":[true,true,true],"a":9.036275648826315,"b":9.036275091590843,"c":4.025939262126686,"alpha":90.0,"beta":90.0,"gamma":153.68726406250698,"volume":145.71857573708098},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9011328596841751,0.098867140317487,0.75],"properties":{"magmom":-0.0},"label":"Sm","xyz":[7.342655707553105,0.3848162189627804,3.0194544465950144]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09886714031582501,0.9011328596825121,0.25],"properties":{"magmom":-0.0},"label":"Sm","xyz":[-6.400280376200689,3.6192650343240595,1.0064848155316715]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249584513714204,0.7504154862852911,0.75],"properties":{"magmom":0.0},"label":"Al","xyz":[-3.8184684162524127,3.011626420243869,3.0194544465950144]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750415486285795,0.24958451371470802,0.25],"properties":{"magmom":0.0},"label":"Al","xyz":[4.760843747604818,0.992454833042971,1.0064848155316715]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.668243949885031,0.331756050114592,0.75],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.3532325965946987,1.3237411165643278,3.0194544465950144]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.331756050114968,0.668243949885408,0.25],"properties":{"magmom":-0.0},"label":"Cu","xyz":[-2.410857265242301,2.680340136722516,1.0064848155316715]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.537272780811285,0.462727219188209,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[1.1096761763916372,1.8517700880526309,3.0194544465950144]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.462727219188714,0.5372727808117971,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[-0.16730084503928755,2.152311165234237,1.0064848155316715]}]} | false | -14.693679 | -14.693679 | -0.672283 | 0 | true | -0.04289 | 0 | null | null | 5.987246 | false | true | false | NM | 0.000001 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249559 | PmNdSi3Ag | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.718782602331353,-0.013072453759215001,-1.543686980448474],[-1.126041059589,3.75202727413585,-4.438861485608095],[-0.010347139251272001,0.01409484253844,5.920209711432944]],"pbc":[true,true,true],"a":5.923479959903736,"b":5.920233814821381,"c":5.920235532073181,"alpha":138.411688257299,"beta":105.20635560774166,"gamma":89.40596071828301,"volume":127.26472690436024},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.003681699787193,0.004133130693126001,0.9995485690955371],"properties":{"magmom":-0.0},"label":"Pm","xyz":[0.006058297592057756,0.029547969928877982,5.893507359132191]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49556427858664803,0.496219459204972,0.9993438193813661],"properties":{"magmom":-0.0},"label":"Nd","xyz":[2.2649205394273264,1.8694362975533978,2.948679413858277]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.082464556534766,0.7496798113259261,0.332783745210186],"properties":{"magmom":0.0},"label":"Si","xyz":[-0.37601673763018695,2.816431619349908,-1.4848747431034024]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.922804038719725,0.25017064731488803,0.6726323914040501],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.988653440192175,0.9360644264317944,1.4471313845420106]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40928421207674104,0.7491952383718611,0.660087973704314],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.4901528091960698,2.8149544551380625,-0.04952136597143364]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.586199214294936,0.250598713089218,0.335601501204543],"properties":{"magmom":-0.0},"label":"Ag","xyz":[3.0666889123256666,0.9373203945666739,-0.030449804328290253]}]} | false | -18.46512 | -18.46512 | -0.692488 | 0 | true | -0.136208 | 0 | null | null | 6.337351 | 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-3249560 | Ho2PSe | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.847891188994431,0.016338660759316,5.8641644197934495],[1.764338158818594,3.4195971762485122,5.864164419938352],[0.026687520700104002,0.016338657520015003,7.013841730265751]],"pbc":[true,true,true],"a":7.013911740002709,"b":7.013911770940743,"c":7.013911532996972,"alpha":33.053600884910104,"beta":33.05360009451673,"gamma":33.05360630817208,"volume":91.35536964825046},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.257316312478586,0.257316312478579,0.25731631247859305],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.4509852949790818,0.8883265425957553,4.822666218916457]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.742683687521413,0.7426836875214201,0.742683687521406],"properties":{"magmom":0.0},"label":"Ho","xyz":[4.187931573534041,2.563947951932085,13.919504351081079]},{"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":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Se","xyz":[2.8194584342565645,1.7261372472639216,9.371085284998777]}]} | false | -24.291061 | -24.291061 | -2.02198 | 0 | true | -0.042903 | 0 | null | null | 5.545071 | 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-3249561 | ScPaTcRu | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.080944798542423,-3.7361474e-9,2.356134018798621],[1.3603155924552721,3.847550474651331,2.356134018798621],[0.0,0.0,4.712268037597242]],"pbc":[true,true,true],"a":4.712268876379042,"b":4.71226810364253,"c":4.712268037597242,"alpha":60.000000463632496,"beta":60.000005888177974,"gamma":59.9999905236592,"volume":73.9903415015531},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Sc","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Pa","xyz":[2.7206301954988477,1.9237752354575919,4.712268037597242]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Tc","xyz":[1.3603150977494238,0.9618876177287959,2.356134018798621]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ru","xyz":[4.080945293248272,2.8856628531863877,7.068402056395863]}]} | false | -35.380005 | -35.380005 | -0.469079 | 0 | true | -0.01643 | 0 | null | null | 10.472497 | false | true | false | NM | 0.000032 | 0 | 0.000032 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249562 | Yb2GaPd3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.554932910711733,-0.194449776646094,2.379482897524219],[1.3554389258519761,4.35293142938593,2.379482889587154],[-0.27636879002456904,-0.19444977930249502,5.131566317871528]],"pbc":[true,true,true],"a":5.142680565262908,"b":5.1426807729518496,"c":5.1426805558467255,"alpha":65.44764436770262,"beta":65.44765038128608,"gamma":65.44764682159949,"volume":107.56845845958561},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.128023079062238,0.128023079061513,0.128023079062103],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.7212824174630247,0.5074875659351705,1.2662163736414114]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.871976920937761,0.8719769209384861,0.871976920937896],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.91272062907611,3.456544307502167,8.62431573134148]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.8170015232695698,1.9820159367186707,4.9452660524914505]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.139282060343582,-0.19444977797429452,3.755524607697873]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.5395350679137035,2.0792408250417176,3.7555246037293406]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.9551859182818543,2.0792408263699182,2.3794828935556867]}]} | false | -26.477372 | -26.477372 | -0.913557 | 0.035625 | false | null | 0 | null | null | 7.091235 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249563 | TbThTe4 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.726677236565641,-0.020586608440987003,-5.737770163442797],[-0.48454869980040804,4.106768955937717,-6.972583719742396],[0.016856928370685,0.020586608256406,8.106574942107041]],"pbc":[true,true,true],"a":8.106618433646707,"b":8.10661843364721,"c":8.10661860805548,"alpha":149.19813023066052,"beta":134.93645081406964,"gamma":55.5792876539297,"volume":191.8495865302026},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13948411853443302,0.13948411853446802,9.24e-14],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.7311936781948803,0.5699575429116873,-1.7728925076562896]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8632813990881091,0.86328139908818,7.1e-15],"properties":{"magmom":0.0},"label":"Th","xyz":[4.525432057418358,3.5275252138764026,-10.97261208318153]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7045210153276851,0.20452101532774203,0.5000000000000641],"properties":{"magmom":-0.0},"label":"Te","xyz":[3.943892533285594,0.8357101624320397,-1.4151320920309758]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29189812477716903,0.7918981247770911,0.49999999999989303],"properties":{"magmom":-0.0},"label":"Te","xyz":[1.2963216040078311,3.2564267468286054,-3.143132852573967]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7525996686015191,0.5004086711362561,0.252191997465189],"properties":{"magmom":-0.0},"label":"Te","xyz":[4.071674201896172,2.0447610990713234,-5.762971949850095]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24821667367108002,0.5004086711362631,0.7478080025347531],"properties":{"magmom":-0.0},"label":"Te","xyz":[1.1915901498140433,2.065347686834249,1.1488100370137733]}]} | false | -35.837703 | -35.837703 | -1.442604 | 0 | true | -0.007784 | 0 | null | null | 6.392788 | false | true | false | NM | 0.000383 | 0.000002 | 0.000383 | 0 | 0 | [
"Te-",
"Th3+",
"Te2-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
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