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-3249564 | Er2GaNiI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.100433769170202,2e-16,0.0],[-2.050216884585103,3.551079832738206,0.0],[0.0,0.0,11.599889338349405]],"pbc":[true,true,true],"a":4.100433769170202,"b":4.100433788310433,"c":11.599889338349405,"alpha":90.0,"beta":90.0,"gamma":119.99999984558863,"volume":168.90561355216067},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.154864723087037],"properties":{"magmom":-0.033},"label":"Er","xyz":[0.0,0.0,1.7964136502237533]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.843852789439246],"properties":{"magmom":0.047},"label":"Er","xyz":[0.0,0.0,9.788598975352715]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9957694358873321],"properties":{"magmom":0.049},"label":"Ga","xyz":[2.050218934801962,1.1836920938861353,11.550815262803665]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.004726713398895],"properties":{"magmom":0.177},"label":"Ni","xyz":[-2.0502168653901954e-6,2.3673877388520674,0.05482935236127539]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6660363468755861],"properties":{"magmom":0.001},"label":"I","xyz":[-2.0502168653901954e-6,2.3673877388520674,7.725947919075297]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.334749991311923],"properties":{"magmom":0.0},"label":"I","xyz":[2.050218934801962,1.1836920938861353,3.8830628552317314]}]} | false | -24.503198 | -24.503198 | -1.10441 | 0 | true | -0.022103 | 0 | null | null | 4.264307 | false | true | true | FM | 0.253334 | 0.0015 | 0.253334 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249565 | Ho3SiSe2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.249989247999506,0.025333577441128,-4.737913026355247],[-0.510125058771279,3.885626095893164,-5.886640757194218],[-0.018586548344491003,-0.025333578745165,7.071765310511363]],"pbc":[true,true,true],"a":7.0718348919897105,"b":7.071835485708959,"c":7.071835112397862,"alpha":146.53022361272878,"beta":132.2159498804135,"gamma":59.59535419856425,"volume":143.168272476244},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8432899835673241,0.34328998356716,0.499999999999843],"properties":{"magmom":0.0},"label":"Ho","xyz":[4.242849249459099,1.3425932813387442,-2.480376751686933]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":0.0},"label":"Ho","xyz":[2.6157013498275075,-6.520184999553313e-10,1.1669261420780583]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.156710016432676,0.6567100164328391,0.500000000000156],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.4784283914246369,2.5430328132503797,-1.0724117213511715]},{"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":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.669313978410599,0.6693139784106491,4.97e-14],"properties":{"magmom":0.0},"label":"Se","xyz":[3.1724573576182467,2.617659978362985,-7.111162361704818]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.3306860215894,0.33068602158935,0.99999999999995],"properties":{"magmom":0.0},"label":"Se","xyz":[1.548820283265485,1.2679661162261384,3.558373888666724]}]} | false | -24.400857 | -24.400857 | -1.727371 | 0 | true | -0.040545 | 0 | null | null | 5.198692 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [
"Se2-",
"Ho3+",
"Ho2+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249566 | Nd4PdPt2Au | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.638436842758088,0.0,0.0],[0.0,5.750829490635825,-0.017433515896352],[0.0,0.017800632473678,7.395898106718735]],"pbc":[true,true,true],"a":4.638436842758088,"b":5.750855915239331,"c":7.395919528191355,"alpha":90.03578974270768,"beta":90.0,"gamma":90.0,"volume":197.28598146333113},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.35863172841532504,0.6930164286115],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.159609210689522,2.0747660507924834,5.119226680354508]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.14524667343053402,0.17780060053830402],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.159609210689522,0.8384538161248475,1.3124629647045534]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6366763758638211,0.305382210057118],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.478827632068566,3.6668532747940272,2.2474762014675687]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.8560724303825391,0.8252966487659491],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.478827632068566,4.937817381090631,6.088885569765897]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.145983507570072,0.45970619854049405],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.478827632068566,0.8477093215665192,3.3973951976326786]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.6596095568690571,0.044281165874608],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.159609210689522,3.7940903247070414,0.3159996771602492]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.341258183437716,0.9549324236095551],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.478827632068566,1.9795160263442997,7.05663357385252]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.85652154403094,0.539583324002485],"properties":{"magmom":-0.0},"label":"Au","xyz":[1.159609210689522,4.935314279217555,3.975771102453549]}]} | false | -37.855175 | -37.855175 | -1.081064 | 0 | true | -0.005946 | 0 | null | null | 5.875546 | 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-3249567 | LiDyCu4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.32368842442795,0.0,2.496282619134573],[1.441229474809316,4.076412300819634,2.496282619134573],[0.0,0.0,4.992565238269146]],"pbc":[true,true,true],"a":4.992565323170606,"b":4.992565128260834,"c":4.992565238269146,"alpha":59.99999927110702,"beta":60.00000056254,"gamma":59.99999908359368,"volume":87.99464469957125},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Li","xyz":[1.4412294748093166,1.0191030752049084,2.496282619134573]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623316398211756,0.623316398211741,0.130050805364739],"properties":{"magmom":0.0},"label":"Cu","xyz":[3.593367860939034,2.5408946329729303,3.7612349122280064]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623316398211741,0.13005080536476002,0.623316398211741],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.8824589496186093,0.5301407027204077,4.992565238269103]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13005080536473201,0.623316398211741,0.623316398211756],"properties":{"magmom":0.0},"label":"Cu","xyz":[1.4606411269777662,2.5408946329729303,4.992565238269108]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623316398211756,0.623316398211741,0.623316398211748],"properties":{"magmom":0.0},"label":"Cu","xyz":[3.593367860939034,2.5408946329729303,6.223895564310205]}]} | false | -13.155876 | -13.155876 | -0.196594 | 0 | true | -0.015214 | 0 | null | null | 5.054409 | false | true | false | NM | 0.000038 | 0 | 0.000038 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249568 | Ho2FeIr3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.55376336282662,-0.10289444420362501,2.306415480994718],[1.372826127573298,4.343119145668552,2.306415497359199],[-0.143816654976431,-0.102894440732295,5.102511699133736]],"pbc":[true,true,true],"a":5.105575423225289,"b":5.105574202426139,"c":5.105575005420923,"alpha":64.73815768801066,"beta":64.73816841719,"gamma":64.73815766423891,"volume":103.86551297077459},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626831045466808,0.62683104546695,0.6268310454668791],"properties":{"magmom":-0.159},"label":"Ho","xyz":[3.624821542125747,2.5934070527771063,6.089878407598573]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37316895453319104,0.37316895453304905,0.37316895453312005],"properties":{"magmom":-0.159},"label":"Ho","xyz":[2.1579512932977347,1.5439232079555214,3.6254642698890707]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.857},"label":"Fe","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.108},"label":"Ir","xyz":[0.686413063786649,2.171559572834276,1.1532077486795995]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.108},"label":"Ir","xyz":[2.27688168141331,-0.051447222101812504,1.153207740497359]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.108},"label":"Ir","xyz":[-0.0719083274882155,-0.0514472203661475,2.551255849566868]}]} | false | -40.375959 | -40.375959 | -0.833603 | 0 | true | -0.030701 | 0 | null | null | 6.878579 | false | true | true | FiM | 2.83655 | 0.02731 | 2.83655 | 3 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249569 | SrEu(Sn2Pd)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.361227885462794,-0.12498292718364201,0.0],[-4.719908231291219,4.266533453048128,0.0],[0.0,0.0,7.521978919716683]],"pbc":[true,true,true],"a":6.362455574923636,"b":6.362455612245117,"c":7.521978919716683,"alpha":90.0,"beta":90.0,"gamma":139.01375971863237,"volume":199.71217816565604},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06398496498042701,0.9360150350196791,0.25],"properties":{"magmom":-0.001},"label":"Sr","xyz":[-4.010882124917869,3.9855424312484793,1.8804947299291708]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9348155046074491,0.06518449539247201,0.75],"properties":{"magmom":6.764},"label":"Eu","xyz":[5.638909619316385,0.161275852069551,5.641484189787512]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.650684676229346,0.34931532377076,0.9498066225818461],"properties":{"magmom":-0.01},"label":"Sn","xyz":[2.490417235091678,1.4090410390216015,7.144425392867946]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34988849139752803,0.65011150860235,0.046795676839096],"properties":{"magmom":-0.015},"label":"Sn","xyz":[-0.8427462324289198,2.7299924118207803,0.35199609471755433]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34988849139752803,0.65011150860235,0.45320432316090303],"properties":{"magmom":-0.015},"label":"Sn","xyz":[-0.8427462324289198,2.7299924118207803,3.40899336514078]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.650684676229346,0.34931532377076,0.550193377418153],"properties":{"magmom":-0.01},"label":"Sn","xyz":[2.490417235091678,1.4090410390216015,4.138542986707072]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20710258379249702,0.792897416207416,0.75],"properties":{"magmom":-0.017},"label":"Pd","xyz":[-2.4249763101546957,3.3570390639346837,5.641484189787512]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7929536113658671,0.20704638863421101,0.25],"properties":{"magmom":-0.02},"label":"Pd","xyz":[4.066918670525247,0.7842646799713189,1.8804947299291708]}]} | false | -25.530397 | -25.530397 | -0.708874 | 0 | true | -0.014311 | 0 | null | null | 7.055426 | false | true | true | FM | 6.940912 | 0.034755 | 6.940912 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249570 | NaErPt3Rh | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.604083061009108,-3.5547840000000004e-9,2.658169753871113],[1.534694352038258,4.340770660559832,2.65816975089192],[0.011953301884407,0.00845246073791,5.2956334654333554]],"pbc":[true,true,true],"a":5.316337768903159,"b":5.316337377021137,"c":5.295653701455199,"alpha":59.870699298067876,"beta":59.870703744548116,"gamma":59.9999904208113,"volume":105.62777111939305},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250359595498714,0.250359595498778,0.24892221350384602],"properties":{"magmom":-0.0},"label":"Na","xyz":[1.539877272351025,1.0888575910771836,2.6491974120671906]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9990221722679201,0.9990221722672881,0.0029334831962940003],"properties":{"magmom":-0.0},"label":"Er","xyz":[6.132809811061072,4.336550926226828,5.326675692345025]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62484369458722,0.125867014132609,0.624446596692642],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.0774638644055607,0.5516379501993806,5.302356794272735]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12586701413175602,0.6248436945873831,0.624446596693061],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.5459104753747497,2.71758128679476,5.302356792786573]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248436945879511,0.624843694587845,0.624446596693445],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.8432405577023854,2.7175812850230145,6.6287215126655035]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6250648289264471,0.625064828926099,0.12480651322069002],"properties":{"magmom":0.0},"label":"Rh","xyz":[3.8386257034331224,2.714317990281124,3.9839863911742293]}]} | false | -36.82976 | -36.82976 | -0.814928 | 0 | true | -0.015206 | 0 | null | null | 7.456761 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249571 | HoCdCu3Ir | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.348026840786707,-6.698056e-10,2.5103339207469992],[1.4493426085257841,4.099358766833799,2.5103339219696132],[-0.095637515792636,-0.067626223306035,5.186317435178019]],"pbc":[true,true,true],"a":5.020668660831407,"b":5.020668550690912,"c":5.187639962346763,"alpha":61.05913464899582,"beta":61.05913236260081,"gamma":59.99999912624731,"volume":93.91783048977638},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7473549798761421,0.7473549798759931,0.7579360603712001],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.260205806181722,3.0124198349206077,7.683118119211188]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.997104687003272,0.997104687003393,0.008685938990474],"properties":{"magmom":0.0},"label":"Cd","xyz":[5.779753548571862,4.086902442200771,5.051179474686832]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37623680326645803,0.8772607164529801,0.37026567701377605],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.8719277647026313,3.571166739182124,5.067012680741027]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37623680326650805,0.37623680326638703,0.370265677013677],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.145772459431206,1.5172899682672942,3.809275355750376]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.877260716453065,0.37623680326635806,0.370265677013755],"properties":{"magmom":-0.0},"label":"Cu","xyz":[4.324237881842295,1.5172899679315814,5.067012680128322]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375807010134572,0.37580701013489903,0.8725789695971],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.095240794406947,1.4815585411322556,6.412273694442053]}]} | false | -23.356964 | -23.356964 | -0.375952 | 0 | true | -0.01003 | 0 | null | null | 5.668047 | false | true | false | NM | 0.000004 | 0 | 0.000004 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249572 | Dy3YN4 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.473275845075149,0.015699610663577,-3.984513563710259],[-0.889373441909711,4.384000759231882,-3.984513564337956],[-0.012788663020259002,-0.015699608558601003,5.9905251736040075]],"pbc":[true,true,true],"a":5.990558538508642,"b":5.990558915536447,"c":5.9905593965166615,"alpha":131.81513322056693,"beta":131.81513750204,"gamma":70.52116203647208,"volume":117.00484753049325},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":-0.0},"label":"Dy","xyz":[0.4448945483263744,3.284075667810505,-0.9892509773790281]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.7919512015827188,2.1998501849477297,-3.9845135640241076]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.1262191918188043,1.0999250935263527,-0.9892509770651796]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Y","xyz":[0.0,0.0,0.0]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":-0.0},"label":"N","xyz":[-0.45108105246498503,2.1841505753366404,1.0030058046330257]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25009545674924905,0.250095456749214,1.208e-13],"properties":{"magmom":0.0},"label":"N","xyz":[0.8963177084644209,1.1003450735686893,-1.9930174794355116]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"N","xyz":[2.230243591027445,1.0524879995310599e-9,1.0030058049468742]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7499045432507501,0.749904543250785,0.9999999999998791],"properties":{"magmom":0.0},"label":"N","xyz":[2.674796031680754,3.2836556877681646,0.014515524991310737]}]} | false | -21.11228 | -21.11228 | -2.015528 | 0 | true | -0.000095 | 0.454 | 4.3439 | 3.8899 | 3.896246 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"N3-",
"Y3+",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249573 | Er2SiPtBr2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.105590445424143,4.373772e-9,0.0],[-2.052797215213532,3.555544881875215,0.0],[0.0,0.0,10.9239867183605]],"pbc":[true,true,true],"a":4.105590445424143,"b":4.105590799606978,"c":10.9239867183605,"alpha":90.0,"beta":90.0,"gamma":120.00002919335768,"volume":159.46410982296902},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.1697062156572],"properties":{"magmom":0.114},"label":"Er","xyz":[0.0,0.0,1.8538684458624755]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8286360661997131],"properties":{"magmom":0.10300000000000001},"label":"Er","xyz":[0.0,0.0,9.052009381520158]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.988272723340699],"properties":{"magmom":-0.01},"label":"Si","xyz":[2.0527966113407827,1.1851804450259713,10.795878103891756]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.013071361157699002],"properties":{"magmom":0.034},"label":"Pt","xyz":[-3.3811301730204154e-6,2.3703644412230123,0.1427913756775972]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6666925479611331],"properties":{"magmom":0.008},"label":"Br","xyz":[-3.3811301730204154e-6,2.3703644412230123,7.282940539157338]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.333621085683567],"properties":{"magmom":0.006},"label":"Br","xyz":[2.0527966113407827,1.1851804450259713,3.644472308972296]}]} | false | -27.454304 | -27.454304 | -1.682619 | 0 | true | -0.63895 | 0 | null | null | 4.036565 | false | true | true | FM | 0.349792 | 0.002194 | 0.349792 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249574 | Pm2NbIr3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.7925967776568,-0.035859348023437,2.249042628285181],[1.414389707280983,4.579274298342934,2.249042630248399],[-0.048988527373598004,-0.035859347564243006,5.293841696576782]],"pbc":[true,true,true],"a":5.29419139339436,"b":5.294189654347603,"c":5.294189803646721,"alpha":65.3890420465023,"beta":65.38904553765286,"gamma":65.38903752695036,"volume":117.23133834105376},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750720356230644,0.750720356232179,0.750720356232307],"properties":{"magmom":0.0},"label":"Pm","xyz":[4.622934420372252,3.383913747836829,7.350998891937152]},{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499279643769355,0.49927964376782,0.499279643767693],"properties":{"magmom":0.0},"label":"Pm","xyz":[3.074563026582972,2.250530755607234,4.8889098019507955]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.125],"properties":{"magmom":0.0},"label":"Nb","xyz":[0.7697497446955232,0.5634444503444068,1.2239908693887953]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.166048133523923,0.5455147763326883,2.3485121835313856]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.125],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.4769445983360145,2.853081599515874,2.3485121845129946]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.625],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.7452554810087241,0.5455147765622853,3.870911717677186]}]} | false | -40.955483 | -40.955483 | -0.806589 | 0 | true | -0.369456 | 0 | null | null | 6.209252 | false | true | false | NM | 0.000004 | 0 | 0.000004 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249575 | Tb2Dy2GeSe3 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.280881540851227,0.000633041909742,-4.753268761412568],[-1.046896240447094,5.176070890121204,-4.753268760191667],[-0.000517538222467,-0.000633037248995,7.10501701087044]],"pbc":[true,true,true],"a":7.105017534634651,"b":7.105016924992959,"c":7.10501705792043,"alpha":131.9942421158887,"beta":131.99423559892443,"gamma":70.23813258771638,"volume":194.18301518604866},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24191630403345202,0.241916304033146,0.9999999999997441],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.0237525369835863,1.251696045061786,4.8052305894882466]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.758083695966547,0.7580836959668601,2.558e-13],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.2097152251980683,3.9243748497201962,-7.206751100222068]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"Dy","xyz":[2.64018200131438,2.330373500018714e-9,1.175874124728936]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-0.5237068893347805,2.5877189264361045,1.1758741253393863]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ge","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.116992650202066,2.588351966015473,-4.753268760802118]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.0},"label":"Se","xyz":[3.6986783264154135,1.2941759853381098,-1.2007602556721229]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":0.0},"label":"Se","xyz":[0.5347894357662527,3.8818949094438406,-1.2007602550616725]}]} | false | -24.788735 | -24.788735 | -1.885843 | 0 | true | -0.012188 | 0 | null | null | 5.484492 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Ge4-",
"Se2-",
"Dy2+",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249576 | TbErCdIn | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.554899874440393,6.5488974e-9,2.6297723080157462],[1.518299302458241,4.294399585211558,2.629772308015744],[4.1493418e-9,2.9340273e-9,5.259545601638992]],"pbc":[true,true,true],"a":5.259545156967812,"b":5.259543987962914,"c":5.259545601638992,"alpha":59.99999600458112,"beta":60.0000033569993,"gamma":60.0000019913143,"volume":102.87965788251864},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.5182997952619939,1.0735998986736206,2.6297725544176207]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Er","xyz":[4.554899385785982,3.220799696020862,7.889317663252862]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[3.0365995905239878,2.147199797347241,5.259545108835241]},{"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]}]} | false | -27.461717 | -27.461717 | -0.502855 | 0 | true | -0.016209 | 0 | null | null | 4.636509 | false | true | false | NM | 0.000009 | 0 | 0.000009 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249577 | NdTm(SbTe)2 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.285921167569129,0.0,0.0],[0.0,4.285921167569129,0.0],[0.0,0.0,9.411783816456122]],"pbc":[true,true,true],"a":4.285921167569129,"b":4.285921167569129,"c":9.411783816456122,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":172.88618873494187},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.275486415929222],"properties":{"magmom":-0.0},"label":"Nd","xyz":[2.1429605837845647,0.0,2.592818591096152]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.722382391750478],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.0,2.1429605837845647,6.798906903970016]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9941887029806721],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.0,0.0,9.357089145216992]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.9941887029806721],"properties":{"magmom":0.0},"label":"Sb","xyz":[2.1429605837845647,2.1429605837845647,9.357089145216992]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.38388964577585205],"properties":{"magmom":0.0},"label":"Te","xyz":[0.0,2.1429605837845647,3.6130863554182375]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.629865140583106],"properties":{"magmom":0.0},"label":"Te","xyz":[2.1429605837845647,0.0,5.928154536689938]}]} | false | -29.063089 | -29.063089 | -1.2654 | 0.012935 | false | null | 0 | null | null | 5.92135 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [
"Tm3+",
"Nd3+",
"Sb-",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249578 | TbPu(HBr2)2 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8790989299176513,1e-16,0.0],[-1.939549464958825,3.359397317948717,0.0],[0.0,0.0,14.557717475194499]],"pbc":[true,true,true],"a":3.8790989299176513,"b":3.8790981512283365,"c":14.557717475194499,"alpha":90.0,"beta":90.0,"gamma":120.00000664041873,"volume":189.70794234761667},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,10.918288106395874]},{"species":[{"element":"Pu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":4.992},"label":"Pu","xyz":[0.0,0.0,3.6394293687986248]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.25],"properties":{"magmom":-0.025},"label":"H","xyz":[-5.314968571374497e-15,2.2396026911622386,3.6394293687986248]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.75],"properties":{"magmom":-0.0},"label":"H","xyz":[1.9395514045082693,1.11979798618381,10.918288106395874]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.11494316992340001],"properties":{"magmom":-0.037},"label":"Br","xyz":[1.9395514045082693,1.11979798618381,1.6733101934481311]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.3850568300766],"properties":{"magmom":-0.037},"label":"Br","xyz":[1.9395514045082693,1.11979798618381,5.605548544149119]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.6190895384940871],"properties":{"magmom":-0.0},"label":"Br","xyz":[-5.314968571374497e-15,2.2396026911622386,9.012530593245469]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.8809104615059121],"properties":{"magmom":-0.0},"label":"Br","xyz":[-5.314968571374497e-15,2.2396026911622386,12.824045619546268]}]} | false | -23.861828 | -23.861828 | -1.670762 | 0 | true | -0.045003 | 0.0729 | 3.419 | 3.3461 | 3.418994 | false | false | true | FM | 5.000015 | 0.026356 | 5.000015 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249579 | Pa2FeRe3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.649614793006138,0.024912174950592003,2.651569670392112],[1.551936415516562,4.383038492620876,2.651569678490958],[0.03504948513348,0.024912185987432,5.352430069713809]],"pbc":[true,true,true],"a":5.352603110332916,"b":5.352602621668763,"c":5.352602800002571,"alpha":59.928968826986015,"beta":59.928968307298774,"gamma":59.928988419146265,"volume":108.26294553435308},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6242779830437181,0.624277983035327,0.6242779830490901],"properties":{"magmom":-0.4},"label":"Pa","xyz":[3.893372502071899,2.767338681292526,6.6520373848304875]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37572201695628105,0.375722016964665,0.375722016950909],"properties":{"magmom":-0.4},"label":"Pa","xyz":[2.3432281915842643,1.6655241722663385,4.003532033766364]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.711999999999999},"label":"Fe","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.11},"label":"Re","xyz":[0.775968207758281,2.191519246310438,1.325784839245479]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.11},"label":"Re","xyz":[2.324807396503069,0.012456087475296002,1.325784835196056]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.11},"label":"Re","xyz":[0.01752474256674,0.012456092993716,2.6762150348569045]}]} | false | -54.374431 | -54.374431 | -0.148219 | 0 | true | -0.148219 | 0 | null | null | 10.066581 | false | true | true | FiM | 1.962976 | 0.018132 | 1.962976 | 3 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249580 | Nd2Tc2Ge2C | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.859362919644969,0.015349878956048002,-3.434689468208591],[3.105138393758629,3.737882235245683,-3.434689469391867],[0.110381351482407,0.052016817563234,7.202838168593963]],"pbc":[true,true,true],"a":5.950692005693746,"b":5.950692379892491,"c":7.203871700344094,"alpha":124.37297062987884,"beta":124.37297407237496,"gamma":40.45781224385285,"volume":132.21178898613854},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.56737905921851,0.567379059218716,0.297092860485591],"properties":{"magmom":-0.0},"label":"Nd","xyz":[4.551684773800335,2.1449591311084655,-1.757629963909527]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.432619940781492,0.432619940781286,0.702905139514406],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.5231897058216703,1.6602859433907573,2.091081658605597]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.199151271135029,0.19915127113636502,0.084549018143782],"properties":{"magmom":0.0},"label":"Tc","xyz":[1.5954731954143044,0.7518589172650166,-0.7590526523327386]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8008497288649751,0.800849728863639,0.9154509818562171],"properties":{"magmom":0.0},"label":"Tc","xyz":[6.479417433973046,3.0533937677320777,1.0925050139472714]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.845179018139056,0.8451790181430711,0.299575564526989],"properties":{"magmom":-0.0},"label":"Ge","xyz":[6.764496955725737,3.1877360006304034,-3.648060635166977]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.154821981860941,0.154821981856926,0.70042443547301],"properties":{"magmom":-0.0},"label":"Ge","xyz":[1.3103936736615582,0.6175166843666647,3.9815129967815577]},{"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 | -21.875514 | -21.875514 | -0.667438 | 0 | true | -0.102657 | 0 | null | null | 6.852632 | false | true | false | NM | 0.000006 | 0 | 0.000006 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249581 | PrTm(ZnGa)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.388360567079662,8.869344e-9,0.0],[-2.194180768149182,3.800430929409699,0.0],[0.0,0.0,7.43425384761045]],"pbc":[true,true,true],"a":4.388360567079662,"b":4.388360114271571,"c":7.43425384761045,"alpha":90.0,"beta":90.0,"gamma":120.00001060352685,"volume":123.98596730203104},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,3.717126923805225]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7845828529459381],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.5172533235357735e-6,2.533621889373206,5.832788093282525]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.215417147054061],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.194182316183802,1.2668090489058337,1.6014657543279192]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.227973451706056],"properties":{"magmom":-0.0},"label":"Ga","xyz":[-2.5172533235357735e-6,2.533621889373206,1.6948125104987821]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.772026548293943],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.194182316183802,1.2668090489058337,5.739441337111661]}]} | false | -18.176593 | -18.176593 | -0.637966 | 0 | true | -0.011462 | 0 | null | null | 3.925644 | false | true | false | NM | 0.000099 | 0.000001 | 0.000099 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249582 | YbTh(Cd2Pd)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.369741449283715,-0.042846996747312,0.0],[-3.75706442509077,3.836721096090193,0.0],[0.0,0.0,8.655026022027217]],"pbc":[true,true,true],"a":5.3699123919563005,"b":5.369912649519186,"c":8.655026022027217,"alpha":90.0,"beta":90.0,"gamma":134.85617830096203,"volume":176.91930289508161},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9346976561419421,0.065302343857688,0.75],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.77373963375096,0.21049789287049345,6.491269516520413]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.065820663081304,0.934179336916201,0.25],"properties":{"magmom":0.0},"label":"Th","xyz":[-3.156332010615727,3.581365351740986,2.163756505506804]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6438229344259411,0.356177065575337,0.552252975960009],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.1189825148801265,1.3389661822592025,4.779763877675848]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.357312302338328,0.6426876976607111,0.46179912162999404],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-0.4959444051194356,2.450503688756421,3.99688341465691]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6438229344259411,0.356177065575337,0.9477470240399911],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.1189825148801265,1.3389661822592025,8.202775155364977]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.357312302338328,0.6426876976607111,0.038200878370005006],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-0.4959444051194356,2.450503688756421,0.33062959635669]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.220755045165546,0.7792449548353341,0.75],"properties":{"magmom":-0.0},"label":"Pd","xyz":[-1.7422759820793663,2.980286866536415,6.491269516520413]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.776457162082671,0.22354283791870702,0.25],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.3295093630003163,0.8244026646243906,2.163756505506804]}]} | false | -30.065742 | -30.065742 | -0.522555 | 0 | true | -0.002028 | 0 | null | null | 5.014703 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249583 | Yb2AlPd2Pt | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.739772388511223,0.038012786196368005,3.03412018982272],[1.4188780758647401,4.522574865751802,3.034122147420669],[0.044780505266679003,0.033160106081665,5.089385178894562]],"pbc":[true,true,true],"a":5.627856838361975,"b":5.627858883800141,"c":5.089690205252077,"alpha":56.86955788075968,"beta":56.86956146863475,"gamma":59.441588896239296,"volume":107.87800109048537},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7544394977719261,0.7544394977710801,0.7437302267791701],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.679633778632713,3.4653496308929372,8.363251294531475]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.495560502228073,0.49556050222891906,0.506269773220829],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.0746549334205837,2.276835066644353,5.583783100640955]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.625],"properties":{"magmom":0.0},"label":"Al","xyz":[0.7978191238386698,0.5907985227945619,3.939396028964525]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.125],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.4848679091377004,2.835505902629631,2.9117645132275785]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.1453150654609416,0.5932248628519134,2.9117635344286037]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.125],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.7754288712053303,0.5742184697537294,1.3947034395172437]}]} | false | -30.60331 | -30.60331 | -1.070063 | 0.06751 | false | null | 0 | null | null | 7.369677 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249584 | DyTh(ZnGa)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.367290992702823,-4.999709700000003e-9,0.0],[-2.183645005021963,3.78218498752926,0.0],[-1e-16,0.0,7.567842195826524]],"pbc":[true,true,true],"a":4.367290992702823,"b":4.367290783523474,"c":7.567842195826524,"alpha":90.0,"beta":90.0,"gamma":119.99999420692696,"volume":125.0048789043864},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[-5e-17,0.0,3.783921097913262]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.76631287652831],"properties":{"magmom":0.0},"label":"Zn","xyz":[-1.856092345252093e-6,2.521457917414586,5.799334922196145]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.23368712347168902],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.1836478437732025,1.260727065114961,1.7685072736303709]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.23692991305249203],"properties":{"magmom":-0.0},"label":"Ga","xyz":[-1.8560923451991548e-6,2.521457917414586,1.7930481934521587]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7630700869475071],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.1836478437732025,1.260727065114961,5.7747940023743585]}]} | false | -24.959763 | -24.959763 | -0.599126 | 0 | true | -0.000184 | 0 | null | null | 5.063237 | false | true | false | NM | 0.000073 | 0.000001 | 0.000073 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249585 | TmMgNi3Ir | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.285909728234928,0.007629564102658,2.680096053868575],[1.488818880324678,4.01901717607121,2.6800960519746893],[0.010941330580741001,0.00762957133503,5.054880459662241]],"pbc":[true,true,true],"a":5.0548981460351,"b":5.0548981758070015,"c":5.054898058769216,"alpha":57.8570441981655,"beta":57.85704733013998,"gamma":57.85703601723498,"volume":86.83880527988053},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001019152287476,0.001019152287604,0.001019152287121],"properties":{"magmom":-0.039},"label":"Tm","xyz":[0.005896478753242699,0.004111541931696259,0.010614545027912039]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24786685286498003,0.247866852864767,0.24786685286554103],"properties":{"magmom":0.006},"label":"Mg","xyz":[1.4340757995299271,0.9999633729205984,2.5815512591745082]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625160917480698,0.6251609174803711,0.12680791912679001],"properties":{"magmom":0.297},"label":"Ni","xyz":[3.611522082492093,2.5182696605212676,3.9919814872853343]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6251609174796611,0.126807919127358,0.625160917480521],"properties":{"magmom":0.297},"label":"Ni","xyz":[2.8750173743741616,0.5191826201448787,5.1754624172992605]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12680791912720202,0.625160917479618,0.625160917480812],"properties":{"magmom":0.297},"label":"Ni","xyz":[1.4810787636535732,2.5182696641225193,5.175462416356374]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62398424075998,0.623984240760265,0.623984240759206],"properties":{"magmom":0.166},"label":"Ir","xyz":[3.610166864262745,2.5173248412539917,6.498841147243902]}]} | false | -21.750291 | -21.750291 | -0.484482 | 0 | true | -0.020067 | 0 | null | null | 6.062457 | false | true | true | FM | 0.970192 | 0.011172 | 0.970192 | 3 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249586 | Li2ThUN4 | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.162995182434614,1.1464673000000002e-9,-1.524925020937704],[-0.5585883779102641,4.125348804497175,-1.5249250199614521],[0.039568023283459,0.045286564674841004,6.552899389443172]],"pbc":[true,true,true],"a":4.433500333647857,"b":4.433499752025157,"c":6.553175330293804,"alpha":109.77157464728569,"beta":109.77157017151636,"gamma":90.00001283587241,"volume":113.11321314141458},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6249990000000021,0.37500099999999703,0.25000099999999703],"properties":{"magmom":0.0},"label":"Li","xyz":[2.402288671110622,1.5583316142070487,0.11330637968855559]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.625000999999997,0.75],"properties":{"magmom":-0.0},"label":"Li","xyz":[1.2416809160932831,2.6123120520955827,3.3897479968298168]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.875,0.25000099999999703],"properties":{"magmom":0.0},"label":"Th","xyz":[0.04150161252173357,3.621001890533612,0.11330638017667935]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8749990000000021,0.12499900000000201,0.75],"properties":{"magmom":-0.0},"label":"U","xyz":[3.602469650447301,0.5496293997226392,3.389752571116741]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.062773358673744,0.31277435867338,0.12554571734713701],"properties":{"magmom":0.0},"label":"N","xyz":[0.09158066394787996,1.295988860950857,0.25000634411793565]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.687224641326253,0.93722564132662,0.37445328265285804],"properties":{"magmom":0.0},"label":"N","xyz":[2.352205896573579,3.883340382581316,-0.023410193100818252]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34861545884667305,0.09861445884686701,0.69722991769354],"properties":{"magmom":0.0},"label":"N","xyz":[1.4237875947123846,0.4383941880705975,3.8868854104489947]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9013835411533221,0.651384541153134,0.8027700823064591],"properties":{"magmom":0.0},"label":"N","xyz":[3.4203635304165476,2.7235431383988282,2.892616682422585]}]} | false | -25.824771 | -25.824771 | -1.486557 | 0 | true | -0.040054 | 1.5776 | 6.7095 | 5.1319 | 5.14815 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Th4+",
"N3-",
"Li+",
"U6+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249587 | Ce(Tc2Ge)2 | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.345642327137778,0.042837535579250005,0.0],[-6.185381994959759,3.962493957990081,0.0],[0.0,0.0,4.114333989079903]],"pbc":[true,true,true],"a":7.345767233767527,"b":7.345768087183277,"c":4.114333989079903,"alpha":90.0,"beta":90.0,"gamma":147.02133981606065,"volume":120.84634078176147},"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":-0.006},"label":"Ce","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6990581398447231,0.300942860168099,0.0],"properties":{"magmom":0.0},"label":"Tc","xyz":[3.273584512378146,1.2224301930539088,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30094286015527405,0.699058139831898,0.0],"properties":{"magmom":0.0},"label":"Tc","xyz":[-2.113323019939797,2.7829053058469038,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8056531175063381,0.19434688248262602,0.500000999999997],"properties":{"magmom":0.001},"label":"Tc","xyz":[4.715929933260467,0.8046105416773254,2.0571711088739284]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19434688249366103,0.805653117517373,0.500000999999997],"properties":{"magmom":0.001},"label":"Tc","xyz":[-3.555669601082449,3.2007209518920017,2.0571711088739284]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.58919087717927,0.410809122826215,0.500000999999997],"properties":{"magmom":0.0},"label":"Ge","xyz":[1.7869740944769996,1.6530681522502184,2.0571711088739284]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41080912282073,0.589190877173784,0.500000999999997],"properties":{"magmom":0.0},"label":"Ge","xyz":[-0.626713762298974,2.3522633413191087,2.0571711088739284]}]} | false | -23.654998 | -23.654998 | -0.448822 | 0 | true | -0.135609 | 0 | null | null | 10.005366 | false | true | false | NM | 0.002742 | 0.000023 | 0.002742 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249588 | YbCd(CuPd)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.405660580780056,0.15813300623846602,2.6396816750207353],[1.570831861715461,4.442984024717216,2.720760969288093],[0.083200832100377,0.15813300469803301,5.135254803810906]],"pbc":[true,true,true],"a":5.138362632798658,"b":5.441521849048695,"c":5.138362611348094,"alpha":58.02835468053743,"beta":58.11338632059417,"gamma":58.02835595009501,"volume":97.06352312327888},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7511064846734,0.748893515326706,0.7511064846734571],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.547998710921985,3.564871376507074,7.877365453828365]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.995997247327366,0.004002752672413,0.995997247327252],"properties":{"magmom":0.0},"label":"Cd","xyz":[4.477181262295326,0.3327842424943667,7.754705864301668]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.874879195802243,0.37344265770442303,0.378234488788997],"properties":{"magmom":-0.0},"label":"Cu","xyz":[4.472505835332612,1.8573583958490198,5.267781263886126]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37823448878897603,0.37344265770442303,0.874879195802257],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.325779079872953,1.857358395083971,6.507194449264266]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37489179170401604,0.8760202894607471,0.37489179170402304],"properties":{"magmom":0.0},"label":"Pd","xyz":[3.0589178799799095,4.010709682897318,5.298201678803402]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37489179170400805,0.37419612713126305,0.37489179170401604],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.2706364968140487,1.7811129464503188,3.932858084491592]}]} | false | -21.247296 | -21.247296 | -0.539152 | 0.006259 | false | null | 0 | null | null | 6.308272 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249589 | SmCu3HgRh | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.425392427479225,-0.013858514975329,2.788347806559798],[1.531870691507076,4.151826414962027,2.788346836377454],[-0.019950558000168,-0.013858508300519,5.230543180567737]],"pbc":[true,true,true],"a":5.230599744386357,"b":5.23059924630161,"c":5.230599587695515,"alpha":58.00415509311443,"beta":58.00413904217655,"gamma":58.00414910191018,"volume":96.55776930856621},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001832477514256,0.0018324775141490002,0.0018324775142130002],"properties":{"magmom":0.0},"label":"Sm","xyz":[0.010879991762953744,0.007557337726153265,0.019804020302266582]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8720430666115531,0.37353632866109604,0.37353632866199105],"properties":{"magmom":-0.0},"label":"Cu","xyz":[4.423889879317475,1.5335961180740003,5.426906108883506]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37353632866172104,0.8720430666112261,0.373536328661202],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.9814497975315364,3.6102181238250948,5.426905625237774]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37353632866220404,0.37353632866079706,0.87204306661146],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.2078564485596623,1.533596121400195,6.6443569582149875]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7552103146241501,0.755210314625479,0.7552103146246051],"properties":{"magmom":0.0},"label":"Hg","xyz":[4.483919687206282,3.114569951245243,8.161737476913304]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37384048392613,0.37384048392726005,0.37384048392651403],"properties":{"magmom":-0.0},"label":"Rh","xyz":[2.21960780102147,1.5417590507569454,4.040183017849041]}]} | false | -22.956282 | -22.956282 | -0.326724 | 0 | true | -0.001415 | 0 | null | null | 6.137352 | 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-3249590 | Ce2NiRh3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.34555276276467,0.112467715815507,2.69256413292074],[1.554553345671587,4.396939658147778,2.69256413292074],[0.0,0.0,5.385128265841481]],"pbc":[true,true,true],"a":5.11335304970854,"b":5.385129160180156,"c":5.385128265841481,"alpha":60.00000549373721,"beta":58.22566457727834,"gamma":58.2256564314454,"volume":101.95284348614807},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501612855497086,0.499462381500592,0.49946238150116],"properties":{"magmom":0.0},"label":"Ce","xyz":[2.956226046242481,2.2525212050543395,5.385128265841476]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7483871445029131,0.750537618499407,0.750537618498839],"properties":{"magmom":0.0},"label":"Ce","xyz":[4.418906589302835,3.3842380123997624,8.077692398762217]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.9102896449368667,0.6199097796531641,2.69256413292074]},{"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":[0.7375132635545321,0.5636759217454106,1.34628206646037]},{"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":[1.5147899363903257,2.7621457508192995,2.69256413292074]},{"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":[0.7375132635545321,0.5636759217454106,4.038846199381111]}]} | false | -25.027737 | -25.027737 | -0.68246 | 0 | true | -0.004106 | 0 | null | null | 10.60037 | false | true | false | NM | 0.000053 | 0.000001 | 0.000053 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249591 | Ac3SiS2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.696435518854589,-0.023548477530387003,-5.098661715089468],[-0.5855961563733141,4.212060451247249,-6.353102114209625],[0.009042569250096002,0.023548477256352,7.64497489485617]],"pbc":[true,true,true],"a":7.645016902282245,"b":7.645016846083152,"c":7.645016510238604,"alpha":146.03727419545646,"beta":131.7629813926371,"gamma":60.30044848001255,"volume":184.44412603802496},"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":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6650936193844641,0.665093619384443,0.9999999999999291],"properties":{"magmom":0.0},"label":"Ac","xyz":[3.408229218935366,2.809301065690774,0.02847984129113744]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.334906380615535,0.33490638061555705,7.110000000000001e-14],"properties":{"magmom":0.0},"label":"Ac","xyz":[1.7116527127959997,1.4027593852824396,-3.8352687757340553]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":0.0},"label":"Si","xyz":[2.8527390440523424,-1.3701750151140502e-10,1.2731565898833508]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16561417710124,0.665614177101247,0.5000000000000281],"properties":{"magmom":0.0},"label":"S","xyz":[0.5581506617523495,2.8114814280576392,-1.2506380526236718]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.83438582289876,0.334385822898752,0.499999999999971],"properties":{"magmom":0.0},"label":"S","xyz":[4.561731269979021,1.4005790229155703,-2.556150881819252]}]} | false | -40.273538 | -40.273538 | -1.814492 | 0 | true | -0.19224 | 0 | null | null | 6.766917 | 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-3249592 | Yb2FeIr3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.317303577596143,0.038989609065705005,2.689954057999867],[1.636614664718901,4.362229201805126,2.68995405813397],[-4.8132874000000004e-9,-2.8568957000000002e-9,5.379907131219815]],"pbc":[true,true,true],"a":5.086893276341613,"b":5.379907434587119,"c":5.379907131219815,"alpha":59.999995855004904,"beta":58.07552364691512,"gamma":58.0755409670388,"volume":100.97685843883589},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755591734526149,0.7481357551584861,0.748135755157576],"properties":{"magmom":0.222},"label":"Yb","xyz":[4.486528843163754,3.292999862271984,8.069858747396228]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49440826547385003,0.501864244841513,0.5018642448424231],"properties":{"magmom":0.222},"label":"Yb","xyz":[2.955868953713437,2.20852364774543,5.379910311795826]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":-2.815},"label":"Fe","xyz":[2.902891568485791,0.5696471555345943,2.6899539349191395]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.125],"properties":{"magmom":-0.10400000000000001},"label":"Ir","xyz":[1.5625471120471701,2.7312669519043045,2.6899539349861916]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.625],"properties":{"magmom":-0.10400000000000001},"label":"Ir","xyz":[0.7442397772810759,0.5501523495732941,4.034930471529114]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.125],"properties":{"magmom":-0.10400000000000001},"label":"Ir","xyz":[0.7442397796877196,0.5501523510017419,1.3449769059192065]}]} | false | -41.623111 | -41.623111 | -0.864744 | 0 | true | -0.011534 | 0 | null | null | 6.643127 | false | true | true | FiM | 2.783017 | 0.027561 | 2.783017 | 3 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249593 | LiNdMgHg | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.387594583079436,0.0,2.533179214883784],[1.462531527693145,4.136663642386928,2.533179214883784],[0.0,0.0,5.066358429767569]],"pbc":[true,true,true],"a":5.0663579778956835,"b":5.066357813504841,"c":5.066358429767569,"alpha":59.99999597624011,"beta":59.99999704959619,"gamma":59.99999695970803,"volume":91.95442064544321},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Li","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.4625315276931454,1.034165910596732,2.533179214883784]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Mg","xyz":[4.387594583079435,3.102497731790196,7.599537644651353]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Hg","xyz":[2.925063055386291,2.068331821193464,5.066358429767568]}]} | false | -21.71964 | -21.71964 | -0.384184 | 0 | true | -0.054619 | 0.1483 | 2.8771 | 2.7288 | 2.728821 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249594 | YbZnCu3Hg | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.382840526537354,-2.3982109e-9,2.530433997367075],[1.46094716889712,4.084362257950748,2.5304339991799742],[6.0426734e-9,6.5520344000000016e-9,5.060868974284176]],"pbc":[true,true,true],"a":5.060868235400853,"b":5.021899830610622,"c":5.060868974284176,"alpha":59.742979173180274,"beta":60.00000150467674,"gamma":59.74297503649071,"volume":90.59516416150213},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.752752205534974,0.741743383394975,0.7527522055350461],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.382840773426756,3.0295486833499274,7.591302730804478]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.372868408457364,0.8813937746279731,0.372868408457307],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.9218925136318243,3.5999314690320707,5.060865831141166]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37458516703478,0.37634568295611304,0.374585167034787],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.19156821302468,1.5371321049646072,3.795907403244397]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.874482982974313,0.37634568295611304,0.374585167034787],"properties":{"magmom":0.0},"label":"Cu","xyz":[4.3825406198519765,1.5371321037657466,5.06086583190734]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.374585167034787,0.37634568295612003,0.8744829829742921],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.19156821604544,1.5371321082399831,6.325824750245095]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000724068963762,0.9978257931087021,0.0007240689637690001],"properties":{"magmom":-0.0},"label":"Hg","xyz":[1.4609442462974411,4.075482009385962,2.530428939017305]}]} | false | -21.531972 | -21.531972 | -0.307276 | 0 | true | -0.066253 | 0 | null | null | 5.168505 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249595 | SmMgCuNi3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3143571154293054,7.5849968e-9,2.515538829206786],[1.423820330987974,4.072642449608073,2.51553882616052],[0.004303920937826,0.0030550122690170003,4.950128994963837]],"pbc":[true,true,true],"a":4.994157879032513,"b":4.994158231694846,"c":4.95013180871147,"alpha":59.70534122014349,"beta":59.70534238811794,"gamma":60.00000620811225,"volume":86.91158747607533},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248869272845247,0.24886927284524002,0.253391181464074],"properties":{"magmom":0.0},"label":"Sm","xyz":[1.4291466241582185,1.0143296800485242,2.50639967215267]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999844503475607,0.999844503475614,0.00046848957328600005],"properties":{"magmom":0.0},"label":"Mg","xyz":[5.737287196110104,4.072010606687304,5.032614424098524]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626577266195759,0.626577266195788,0.12026820141342401],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.59592916215256,2.5521925978518207,3.74770199430743]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6268162083501351,0.12107654078245302,0.625290042516766],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.8793914078397767,0.495011733148303,4.976619619880817]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12107654078212701,0.6268162083501351,0.625290042516731],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.4175322953828542,2.554708567899086,4.976619618339207]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6268162083511221,0.626816208350767,0.6252900425157081],"properties":{"magmom":-0.0},"label":"Ni","xyz":[3.599473828714895,2.5547085717376903,6.248827389575672]}]} | false | -13.735405 | -13.735405 | -0.286376 | 0 | true | -0.043092 | 0 | null | null | 5.768734 | 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-3249596 | Li2NdCuAs2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2052770049419355,7.843893e-9,0.0],[-2.102639488877646,3.641876534604841,0.0],[0.0,0.0,6.868963838728459]],"pbc":[true,true,true],"a":4.2052770049419355,"b":4.205277340853159,"c":6.868963838728459,"alpha":90.0,"beta":90.0,"gamma":120.00001276939994,"volume":105.19886576689026},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5033291818029391],"properties":{"magmom":0.0},"label":"Li","xyz":[0.0,0.0,3.4573499487811707]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.64400067958433],"properties":{"magmom":0.0},"label":"Li","xyz":[-2.760243262203412e-6,2.4279189063100195,4.423617380181316]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0050863843106220006],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,0.034938189899538306]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.35477343188146904],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.10264027630755,1.2139576361387112,2.436925874535405]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.260560258566833],"properties":{"magmom":-0.0},"label":"As","xyz":[-2.760243262203412e-6,2.4279189063100195,1.7897789939053133]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7322500638538111],"properties":{"magmom":-0.0},"label":"As","xyz":[2.10264027630755,1.2139576361387112,5.029799209518433]}]} | false | -13.423235 | -13.423235 | -1.014355 | 0 | true | -0.016387 | 0.1806 | 5.1212 | 4.9406 | 5.110222 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"As3-",
"Nd3+",
"Li+",
"Cu+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249597 | Ca2URh3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.869710662197569,0.002155633322144,1.967668610395385],[1.3279414452581881,4.685153500456288,1.967668610769297],[0.0028506346764980003,0.002155633431348,5.252218688306286]],"pbc":[true,true,true],"a":5.252219182460974,"b":5.252219679971411,"c":5.252219904256424,"alpha":67.96710349163423,"beta":67.96709802073019,"gamma":67.96710243481233,"volume":119.77484053944882},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375440774689536,0.37544077468963605,0.375440774689757],"properties":{"magmom":0.007},"label":"Ca","xyz":[2.3279215529708597,1.7606162850809937,3.4493831081565625]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624559225310463,0.624559225310363,0.624559225310243],"properties":{"magmom":0.007},"label":"Ca","xyz":[3.87258118916139,2.9288484821287817,5.738172801314402]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":1.477},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":-0.093},"label":"Rh","xyz":[2.4348553310987846,0.001077816661072,0.9838343051976925]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":-0.093},"label":"Rh","xyz":[0.6639707226290941,2.342576750228144,0.9838343053846486]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.500000999999997],"properties":{"magmom":-0.093},"label":"Rh","xyz":[0.0014253201888836681,0.001077818871307425,2.6261145963718158]}]} | false | -28.343658 | -28.343658 | -0.605773 | 0 | true | -0.111037 | 0 | null | null | 7.968855 | false | true | true | FM | 1.375225 | 0.011482 | 1.375225 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249598 | HoZn3CdRu | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.582990925928602,1.8295556e-9,2.55469167101137],[1.579465402663956,4.302219664299693,2.554691664549419],[0.09768763261011301,0.068199631466657,5.212927268645606]],"pbc":[true,true,true],"a":5.246928183335347,"b":5.2469281011862225,"c":5.2142885201613165,"alpha":59.79271910299702,"beta":59.79272559603379,"gamma":60.00000560295386,"volume":101.18649158620254},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.747717969960568,0.747717969960341,0.7568480901187861],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.681714034154713,3.268463715903962,7.765771782617856]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37325305349514704,0.8753863442509341,0.378107548759594],"properties":{"magmom":-0.0},"label":"Zn","xyz":[3.1301942332625696,3.7918911402588416,5.160935815271499]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37325305349480603,0.373253053494465,0.37810754875935904],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.33709207298534,1.6316034226668292,3.8781400828810813]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8753863442507991,0.37325305349457905,0.37810754876052505],"properties":{"magmom":-0.0},"label":"Zn","xyz":[4.638364388127018,1.63160342358608,5.160935818519317]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.006548479278791,0.0065484792800200005,0.980354562160869],"properties":{"magmom":-0.0},"label":"Cd","xyz":[0.13612323387220318,0.0950328161877691,5.1439757209329775]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.373842099519876,0.373842099519656,0.8784727014408561],"properties":{"magmom":0.0},"label":"Ru","xyz":[2.3896015305966096,1.6682623470722968,6.489516893519159]}]} | false | -17.877885 | -17.877885 | -0.354106 | 0 | true | -0.041403 | 0 | null | null | 4.559419 | 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-3249599 | YbZn2Cu2Ag | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.381538496906815,-0.0007621399708720001,2.475731825259763],[1.484806166396664,4.11401752964738,2.543960201522605],[0.0007702036111850001,-0.000762123067368,5.032605649173606]],"pbc":[true,true,true],"a":5.032606506705824,"b":5.059794767868201,"c":5.032605765817472,"alpha":59.82113556282208,"beta":60.52317078520795,"gamma":59.82112365978773,"volume":90.71991371674986},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7552955369505051,0.7447044630495651,0.7552955369505691],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.415679981919724,3.062575946322629,7.565512300252427]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.372366465324361,0.8815248404543321,0.37236646532490103],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.9407183197105096,3.626041062008958,5.038417196589296]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.372366465324773,0.373741228896285,0.37236646532404905],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.1867580820757575,1.5370103827914963,3.7466358977969425]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8742009331990911,0.37518814019984603,0.37542178640113305],"properties":{"magmom":0.0},"label":"Cu","xyz":[4.387715858186913,1.5425782046207919,5.0081005718096545]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375421786401105,0.37518814020010105,0.874200933199155],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.2026799865376265,1.5425782130529564,6.283415916172334]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000348812800162,0.9996511871998661,0.00034881280019000003],"properties":{"magmom":0.0},"label":"Ag","xyz":[1.485816852369109,4.112581975990605,2.545691839860442]}]} | false | -16.565681 | -16.565681 | -0.332339 | 0 | true | -0.065899 | 0 | null | null | 5.418619 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249600 | Pa2AlIr3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.313702263205351,-0.005462294421005,2.770382135046706],[1.784857342241092,4.4541363900846465,2.770382135046706],[0.0,0.0,5.540764270093413]],"pbc":[true,true,true],"a":5.126702080912178,"b":5.540763836134343,"c":5.540764270093413,"alpha":59.99999740915674,"beta":57.290291726109544,"gamma":57.29029800574867,"volume":106.51325673915103},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.993356439081523,0.002213853639986,0.0022138536392400003],"properties":{"magmom":-0.0},"label":"Pa","xyz":[4.288995332359551,0.004434800724918599,2.7703765942824052]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256643560918476,0.24778614636001303,0.24778614636075902],"properties":{"magmom":-0.0},"label":"Pa","xyz":[1.5493468322074053,1.1022714287699824,2.770387675810996]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.625],"properties":{"magmom":-0.0},"label":"Al","xyz":[1.6547486218013514,2.7831524570002784,5.540764270093413]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.625,0.625],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.811599753404027,2.780421309789776,6.925955337616766]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.625],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.919171082283481,0.5533531147474526,5.540764270093413]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.625,0.125],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.811599753404027,2.780421309789776,4.155573202570059]}]} | false | -53.926856 | -53.926856 | -1.006491 | 0 | true | -0.238734 | 0 | null | null | 11.271412 | false | true | false | NM | 0.000757 | 0.000007 | 0.000757 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249601 | LiHo(NiPt)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.302371254386241,0.030822095714590002,2.6688026393553432],[1.5153466119845511,4.02679404139448,2.6688026393553432],[0.0,0.0,5.3376052787106865]],"pbc":[true,true,true],"a":5.062988834669036,"b":5.062988557570834,"c":5.3376052787106865,"alpha":58.18892796258639,"beta":58.18892990770832,"gamma":57.51816410493156,"volume":92.2234470359014},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.010806305066807001,0.010806305067056,0.9891936949330711],"properties":{"magmom":-0.0},"label":"Li","xyz":[0.06286803405699362,0.04384783782260226,5.3376052787107]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24980477752047303,0.24980477751999702,0.25019522247976],"properties":{"magmom":-0.001},"label":"Ho","xyz":[1.4532937172849154,1.0136118963920955,2.6688026393553166]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.620496903110044,0.122228599757356,0.628637748566305],"properties":{"magmom":-0.006},"label":"Ni","xyz":[2.854826733906263,0.5113144121291764,5.337607947513352]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.122228599757392,0.6204969031103711,0.6286377485661271],"properties":{"magmom":-0.006},"label":"Ni","xyz":[1.4661406939352917,2.5023805737493525,5.337607947513372]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6233317072726401,0.623331707272612,0.6288305290331021],"properties":{"magmom":-0.002},"label":"Pt","xyz":[3.6263680100754043,2.529240794201098,6.683547762307633]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6233317072726401,0.623331707272612,0.12450605642164402],"properties":{"magmom":-0.002},"label":"Pt","xyz":[3.6263680100754043,2.529240794201098,3.9916627951137307]}]} | false | -27.764438 | -27.764438 | -0.729952 | 0 | true | -0.002771 | 0 | null | null | 6.74121 | false | true | false | NM | 0.012964 | 0.000141 | 0.012964 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249602 | HoZnCuP2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.941535227122837,0.0,0.0],[-1.970767613561418,3.413468919884381,0.0],[0.0,0.0,6.498183605609459]],"pbc":[true,true,true],"a":3.941535227122837,"b":3.941534606429228,"c":6.498183605609459,"alpha":90.0,"beta":90.0,"gamma":120.00000520923496,"volume":87.42856363411632},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9840022987943721],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.0,0.0,6.394227605907608]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.376100306763234],"properties":{"magmom":0.0},"label":"Zn","xyz":[1.9707695843290103,1.1378218354718308,2.4439688474735357]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6406517487910931],"properties":{"magmom":0.0},"label":"Cu","xyz":[-1.970767593332835e-6,2.275647084412547,4.163072690899311]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25448895067744803],"properties":{"magmom":-0.0},"label":"P","xyz":[-1.970767593332835e-6,2.275647084412547,1.653715927100947]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7447556949738611],"properties":{"magmom":-0.0},"label":"P","xyz":[1.9707695843290103,1.1378218354718308,4.839559247263423]}]} | false | -15.025206 | -15.025206 | -0.896627 | 0 | true | -0.028752 | 0.2328 | 6.0228 | 5.79 | 5.908142 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"P3-",
"Cu+",
"Ho3+",
"Zn2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249603 | Tb2GeIrI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.246602786367961,2.18062831e-8,0.0],[-2.123302855285465,3.677667052994053,0.0],[0.0,0.0,11.72684840076861]],"pbc":[true,true,true],"a":4.246602786367961,"b":4.246604522196689,"c":11.72684840076861,"alpha":90.0,"beta":90.0,"gamma":120.0000089628541,"volume":183.14512439789212},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.156307952615399],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,1.8329996641553075]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.843853909159285],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,9.8957468651069]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.004341609045155],"properties":{"magmom":0.0},"label":"Ge","xyz":[2.1233030291186763,1.2258878063132073,0.050913391087938444]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.996529067062432],"properties":{"magmom":0.001},"label":"Ir","xyz":[-3.0980361820716768e-6,2.4517792684871256,11.686145296400516]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6662608730770501],"properties":{"magmom":0.0},"label":"I","xyz":[2.1233030291186763,1.2258878063132073,7.813140253938302]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.33270658904065403],"properties":{"magmom":0.0},"label":"I","xyz":[-3.0980361820716768e-6,2.4517792684871256,3.9015997316165727]}]} | false | -30.979913 | -30.979913 | -1.346318 | 0 | true | -0.036148 | 0 | null | null | 4.288176 | false | true | false | NM | 0.000744 | 0.000004 | 0.000744 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249604 | NdTh2Sb3 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.505475401097626,-1.3498012e-9,0.0],[-2.252737202877839,3.901856133996774,0.0],[0.0,0.0,11.104851397996088]],"pbc":[true,true,true],"a":4.505475401097626,"b":4.505475135392285,"c":11.104851397996088,"alpha":90.0,"beta":90.0,"gamma":119.99999466008681,"volume":195.22014298605777},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6660699923599861],"properties":{"magmom":-0.0},"label":"Th","xyz":[-1.9209568626953123e-6,2.6012387228332785,7.396608285822035]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.333930007640013],"properties":{"magmom":-0.0},"label":"Th","xyz":[2.2527401191766474,1.3006174098136907,3.708243112174043]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.16700602446331902],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-1.9209568626953123e-6,2.6012387228332785,1.8545770842352571]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8329939755366801],"properties":{"magmom":-0.0},"label":"Sb","xyz":[2.2527401191766474,1.3006174098136907,9.250274313760821]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.0,0.0,5.552425698998044]}]} | false | -43.460903 | -43.460903 | -1.21299 | 0 | true | -0.003139 | 0 | null | null | 6.798489 | false | true | false | NM | 0.000043 | 0 | 0.000043 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249605 | YbPa(CuGe)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.165423389673664,5.7960402000000015e-9,0.0],[-2.082712184797945,3.607363392859195,0.0],[0.0,0.0,7.608035743472886]],"pbc":[true,true,true],"a":4.165423389673664,"b":4.165424431297059,"c":7.608035743472886,"alpha":90.0,"beta":90.0,"gamma":119.99999943027487,"volume":114.31983521975621},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49551965266372305],"properties":{"magmom":-0.039},"label":"Yb","xyz":[0.0,0.0,3.7699312290588747]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.99568028958982],"properties":{"magmom":-0.042},"label":"Pa","xyz":[0.0,0.0,7.575171232270785]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.238338602233426],"properties":{"magmom":-0.004},"label":"Cu","xyz":[2.0827136142282963,1.2024532656959737,1.8132886048412717]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.753524324807571],"properties":{"magmom":0.0},"label":"Cu","xyz":[-2.4093525792378576e-6,2.404910132959258,5.732839996712273]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7562583426558681],"properties":{"magmom":0.005},"label":"Ge","xyz":[2.0827136142282963,1.2024532656959737,5.7536405022254105]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.234878788049584],"properties":{"magmom":0.005},"label":"Ge","xyz":[-2.4093525792378576e-6,2.404910132959258,1.7869662148648273]}]} | false | -27.700525 | -27.700525 | -0.563367 | 0 | true | -0.051341 | 0 | null | null | 7.173023 | false | true | false | NM | 0.137161 | 0.0012 | 0.137161 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249606 | Th2MgIn3Ru2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.949947421253953,-0.025040958822668002,1.391710721511718],[6.505353520514747,4.56975510968422,1.391710724073663],[0.017956661507873003,0.005645260523404001,5.138173591450813]],"pbc":[true,true,true],"a":8.07088283787417,"b":8.070882537174004,"c":5.138208069603783,"alpha":79.87048968707752,"beta":79.87048831454628,"gamma":34.72180410502148,"volume":187.37715014336624},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8349471490647531,0.834947149064404,0.5862119492936411],"properties":{"magmom":0.0},"label":"Th","xyz":[12.079938719745883,3.7979054427501926,5.336068557490211]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16505285093524602,0.16505285093559502,0.41378805070635805],"properties":{"magmom":0.0},"label":"Th","xyz":[2.393318883530678,0.7524539686347586,2.585526479545975]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Mg","xyz":[0.0,0.0,0.0]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375544432759831,0.37554443275937605,0.04942567780386],"properties":{"magmom":-0.0},"label":"In","xyz":[5.42949531271234,1.707021118666548,1.2992561403446277]},{"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":[7.236628801638287,2.275179705692478,3.960797518518097]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624455567240168,0.624455567240623,0.950574322196139],"properties":{"magmom":-0.0},"label":"In","xyz":[9.04376229056422,2.8433382927184034,6.622338896691558]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7941164172413121,0.794116417242236,0.11659809364248001],"properties":{"magmom":-0.0},"label":"Ru","xyz":[11.481285506528335,3.6096903454874334,2.8094619116094823]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.205883582758687,0.20588358275777102,0.883401906357519],"properties":{"magmom":-0.0},"label":"Ru","xyz":[2.9919720967482757,0.9406690658975544,5.112133125426715]}]} | false | -34.177793 | -34.177793 | -0.464709 | 0 | true | -0.068379 | 0 | null | null | 7.817451 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249607 | Nd2MnIr2Ru | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.746740003493046,0.083638180795744,2.309038794843974],[1.475320101350761,4.54059465144953,2.261010411716765],[0.08519541038200801,0.039615177075680005,5.281751419245262]],"pbc":[true,true,true],"a":5.279223064253157,"b":5.2825881225128,"c":5.282587024830186,"alpha":63.96665604501518,"beta":63.13223945896861,"gamma":63.132231579940516,"volume":112.01864670321473},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623268488934144,0.624852248995175,0.624852248994727],"properties":{"magmom":-0.075},"label":"Nd","xyz":[3.9335850964384034,2.914083454785529,6.152262814261941]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.376731511065855,0.375147751004817,0.37514775100527203],"properties":{"magmom":-0.075},"label":"Nd","xyz":[2.373670418787395,1.7497645545353893,3.6995378115440345]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":3.589},"label":"Mn","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":-0.115},"label":"Ir","xyz":[0.7376600506753805,2.270297325724765,1.1305052058583824]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.115},"label":"Ir","xyz":[0.042597705191004004,0.019807588537840003,2.640875709622631]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":-0.403},"label":"Ru","xyz":[2.373370001746523,0.041819090397872,1.154519397421987]}]} | false | -34.522922 | -34.522922 | -0.579156 | 0 | true | -0.030448 | 0 | null | null | 7.07801 | false | true | true | FiM | 2.792378 | 0.024928 | 2.792378 | 4 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249608 | NdUP2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.934917963706772,0.035130357244528,6.045156597250404],[1.8203461468708662,3.48871795460134,6.045156594982894],[0.057376802005651005,0.035130365808034004,7.21278056668677]],"pbc":[true,true,true],"a":7.21309446828353,"b":7.2130944343638355,"c":7.21309432512736,"alpha":32.60477269530026,"beta":32.60476986872413,"gamma":32.60477990142809,"volume":96.90754118977529},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.038},"label":"Nd","xyz":[2.9063204562916445,1.779489338826951,9.651546879460033]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.407},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.253664349189676,0.25366434919103403,0.25366434918928604],"properties":{"magmom":-0.064},"label":"P","xyz":[1.4744597741661742,0.9027860100517349,4.896506715709152]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.746335650810323,0.746335650808966,0.7463356508107141],"properties":{"magmom":-0.064},"label":"P","xyz":[4.338181138417111,2.656192667602167,14.40658704321091]}]} | false | -33.409998 | -33.409998 | -1.568949 | 0 | true | -0.053966 | 0 | null | null | 6.735474 | false | true | true | FM | 2.628063 | 0.027119 | 2.628063 | 1 | 1 | [
"P3-",
"Nd3+",
"U3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249609 | Sm2ThAs3 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.441865361814382,-0.008557827164419001,-4.878561309320921],[-0.556803416480522,4.004427442463196,-6.088419926774697],[0.013342013530150002,0.008557825044723001,7.308494888956071]],"pbc":[true,true,true],"a":7.308510949661635,"b":7.308510545337122,"c":7.308512077542976,"alpha":146.36204521990854,"beta":131.77125120757373,"gamma":60.08512186373016,"volume":159.79677320929383},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.667091381848614,0.6670913818485711,0.9999999999999781],"properties":{"magmom":-0.0},"label":"Sm","xyz":[3.2721247370590167,2.6741680084011015,-0.007483778538674965]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.332908618151385,0.332908618151428,2.129999999999999e-14],"properties":{"magmom":-0.0},"label":"Sm","xyz":[1.6262792218049884,1.3302594319423946,-3.6510025686008665]},{"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":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"As","xyz":[2.727603687672266,-1.0598480001608457e-9,1.2149667898175749]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16636643763816703,0.6663664376382381,0.5000000000000491],"properties":{"magmom":-0.0},"label":"As","xyz":[0.5409796520117437,2.671271226918095,-1.214500118803237]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8336335623618321,0.333633562361761,0.49999999999995004],"properties":{"magmom":-0.0},"label":"As","xyz":[4.357424306852263,1.3331562134254011,-2.443986228336307]}]} | false | -31.274194 | -31.274194 | -1.763577 | 0 | true | -0.028053 | 0 | null | null | 5.182758 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Th3+",
"Sm3+",
"As3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249610 | LaMgGeH | 129 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.326441973325725,0.0,0.0],[0.0,4.326441973325725,0.0],[0.0,0.0,8.095840451368279]],"pbc":[true,true,true],"a":4.326441973325725,"b":4.326441973325725,"c":8.095840451368279,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":151.53875235543086},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.35858747226465904],"properties":{"magmom":-0.0},"label":"La","xyz":[2.1632209866628624,0.0,2.9030669633141275]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.6414125277353401],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,2.1632209866628624,5.1927734880541445]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Mg","xyz":[2.1632209866628624,2.1632209866628624,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Mg","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.789396217075193],"properties":{"magmom":0.0},"label":"Ge","xyz":[2.1632209866628624,0.0,6.390825826354442]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.21060378292480603],"properties":{"magmom":0.0},"label":"Ge","xyz":[0.0,2.1632209866628624,1.7050146250138285]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"H","xyz":[0.0,0.0,4.047920225684139]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"H","xyz":[2.1632209866628624,2.1632209866628624,4.047920225684139]}]} | false | -13.575141 | -13.575141 | -0.764847 | 0 | true | -0.11845 | 0.1151 | 6.7208 | 6.6057 | 6.653133 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249611 | Ca2YbIrC4 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.673349205670978,0.003010009213592,-1.927658027629256],[6.8185978011651684,3.519518989510208,-1.9276580323733952],[0.010446958196738,0.0025396227486090004,4.685084589368911]],"pbc":[true,true,true],"a":7.911773667377651,"b":7.911773213468084,"c":4.685096925161883,"alpha":103.97395135436618,"beta":103.97395217986208,"gamma":26.441500770148703,"volume":126.50657234162348},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.168675019252951,0.16867501925052802,0.213764062800457],"properties":{"magmom":-0.0},"label":"Ca","xyz":[2.4466626246023524,0.5947055267470106,0.3512072057448215]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8313259807470531,0.8313259807494761,0.7862359371995421],"properties":{"magmom":-0.0},"label":"Ca","xyz":[12.055745832377598,2.930366617254412,0.4785574683053584]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.005223479098369,0.0012698113743045002,2.3425422946844554]},{"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":[7.245973503418073,1.7612644993619,-1.9276580300013255]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39928854720017104,0.3992885471988,0.18627172943413903],"properties":{"magmom":0.0},"label":"C","xyz":[5.7884144394227555,1.4069785462875677,-0.6666847395863231]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33972509694819303,0.33972509695185205,0.338142160945047],"properties":{"magmom":-0.0},"label":"C","xyz":[4.926810658910382,1.1975502591313423,0.2744770050021621]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.660274903051806,0.6602749030481471,0.66185583905495],"properties":{"magmom":-0.0},"label":"C","xyz":[9.575583285228571,2.3275183572618183,0.5552821541949087]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6007114527998281,0.6007114528011991,0.8137292705658581],"properties":{"magmom":0.0},"label":"C","xyz":[8.713979536057073,2.118090077724461,1.4964579540371619]}]} | false | -18.164472 | -18.164472 | -0.32019 | 0.067813 | false | null | 0 | null | null | 5.024184 | false | true | false | NM | 0.000023 | 0 | 0.000023 | 0 | 0 | [
"Ir4+",
"C2-",
"C3-",
"Ca2+",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249612 | SrYb3Sb2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.5854740431340995,1.1762434000000001e-9,-1.247475030426557],[-0.339374793335461,4.572898490984409,-1.247475028515003],[0.023107256657908002,0.024886204662774,9.136331137283637]],"pbc":[true,true,true],"a":4.75213280031128,"b":4.752133184788436,"c":9.136394251486266,"alpha":105.07398539951113,"beta":105.0739898721849,"gamma":90.00000089105022,"volume":191.86358962864912},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32425479025271603,0.324254790252823,0.648509580505646],"properties":{"magmom":-0.0},"label":"Sr","xyz":[1.3918032989574924,1.4989231835692363,5.1159987651472525]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5017247391255351,0.0017257391254040001,0.0034504782507980003],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.300139826785868,0.007977499740476929,-0.5965171887897703]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0017257391255320002,0.501724739125407,0.0034504782507980003],"properties":{"magmom":0.0},"label":"Yb","xyz":[-0.16227966660009144,2.294422171746084,-0.5965171878339952]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.673475789752878,0.673475789752899,0.346951579505798],"properties":{"magmom":0.001},"label":"Yb","xyz":[2.867662144822741,3.0883707314833906,1.489576057628879]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.131962931417263,0.131962931417533,0.263925862835087],"properties":{"magmom":-0.0},"label":"Sb","xyz":[0.5664263067431683,0.6100212031386495,2.0820731550367175]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8668540103260861,0.8668540103259371,0.7337110206518671],"properties":{"magmom":0.0},"label":"Sb","xyz":[3.697702211797524,3.9822946793661673,4.540669379593201]}]} | false | -30.123493 | -30.123493 | -0.765755 | 0.154383 | false | null | 0 | null | null | 4.196849 | false | true | false | NM | 0.002028 | 0.000011 | 0.002028 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249613 | Th2Ni2Bi | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.425320432224188,0.04630404238250101,0.0],[-6.169430374871099,4.132270227490847,0.0],[0.0,0.0,3.694119752955381]],"pbc":[true,true,true],"a":7.425464806027092,"b":7.425464859750493,"c":3.694119752955381,"alpha":90.0,"beta":90.0,"gamma":145.828625780275,"volume":114.40356447425081},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.356612321507746,0.643387678492047,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[-1.3213747292322677,2.6751643406163557,1.8470598764776904]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6433876784922531,0.356612321507952,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[2.577264786585357,1.503409929256988,1.8470598764776904]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7958168325467551,0.20418316745315201,0.0],"properties":{"magmom":0.0},"label":"Ni","xyz":[4.649501151694487,0.8805895601643908,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20418316745324402,0.7958168325468471,0.0],"properties":{"magmom":0.0},"label":"Ni","xyz":[-3.3936110943413995,3.2979847097089534,0.0]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.0,0.0,0.0]}]} | false | -46.457749 | -46.457749 | -0.574503 | 0 | true | -0.038501 | 0 | null | null | 7.870024 | 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-3249614 | HoMgZn3Rh | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.457877574653804,-0.07620401120702701,2.786064352896187],[1.506207128276468,4.196405405801474,2.786064354450418],[-0.11030687347232801,-0.07620402459351,5.25572523500648]],"pbc":[true,true,true],"a":5.257436076682643,"b":5.257435955886662,"c":5.25743496446541,"alpha":59.19113186749717,"beta":59.19113147846526,"gamma":59.19114420251269,"volume":100.86215670480608},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252692759218469,0.252692759218469,0.252692759218462],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.4792072715776292,1.0218888536977693,2.736120289107742]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9982897780047111,0.9982897780046961,0.9982897780046611],"properties":{"magmom":-0.0},"label":"Mg","xyz":[5.843766569858453,4.0370812367498115,10.809335908378793]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6259418141030221,0.6259418141030361,0.12221642292075001],"properties":{"magmom":-0.0},"label":"Zn","xyz":[3.7196886869169195,2.5696929521043246,4.130164289568911]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6259418141025811,0.12221642292129001,0.625941814103107],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.9054095390332044,0.4174710954117812,5.37419518271525]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12221642292131901,0.6259418141026031,0.625941814103107],"properties":{"magmom":-0.0},"label":"Zn","xyz":[1.418578188793687,2.5696929453593462,5.374195183498298]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624917411649889,0.624917411649896,0.624917411649896],"properties":{"magmom":-0.0},"label":"Rh","xyz":[3.658127689558374,2.527164369179973,6.766514459378393]}]} | false | -15.171611 | -15.171611 | -0.518497 | 0 | true | -0.03678 | 0 | null | null | 4.478055 | 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-3249615 | Dy2Ir3W | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.836520260614858,1.7073482000000002e-9,2.7923657917450893],[1.612173419423135,4.5599149502271334,2.792365795887325],[0.23175112508206003,0.163872436996155,5.183328513457068]],"pbc":[true,true,true],"a":5.584732307483161,"b":5.584732242967505,"c":5.191094030934223,"alpha":57.458200818575556,"beta":57.458197462852645,"gamma":60.00000244375364,"volume":109.88744418476945},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7510571764603,0.7510571764602071,0.746827470619258],"properties":{"magmom":0.0},"label":"Dy","xyz":[5.016415773744769,3.5471412863246448,8.065504860589412]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49894282353970004,0.498942823539792,0.5031725293807411],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.334140232655296,2.3575929498386468,5.394570265772435]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.125],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.641142310351574,2.870430898729896,2.7421904105798482]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.2533157309474356,0.5904734244700037,2.74219040850873]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.125],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.8350556006400066,0.5904734236163296,1.3460075126361852]},{"species":[{"element":"W","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.625],"properties":{"magmom":-0.0},"label":"W","xyz":[0.9509311631810365,0.672409642114407,3.9376717693647194]}]} | false | -46.215802 | -46.215802 | -0.814225 | 0 | true | -0.045606 | 0 | null | null | 7.264571 | 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-3249616 | TbDy(FeOs)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.57900814378976,-4.3584395e-9,2.611999303169032],[1.498489032510175,4.3025939242059374,2.692702464100452],[0.015624123190512,0.012933044635597002,5.292261287342266]],"pbc":[true,true,true],"a":5.271608477556774,"b":5.292299161738665,"c":5.292300153087562,"alpha":59.22851827293236,"beta":60.129255269318435,"gamma":60.12923811048938,"volume":103.98164946090756},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9975980055358341,0.0024019944638240002,0.0024019944645200003],"properties":{"magmom":-0.43},"label":"Tb","xyz":[4.571646282994613,0.010365867539678985,2.624905134030899]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252636571007606,0.247363428992827,0.24736342899196],"properties":{"magmom":-0.453},"label":"Dy","xyz":[1.5313611381402064,1.0675035478225505,2.6350745613625906]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125243958278865,0.6250153960015791,0.6250153960015791],"properties":{"magmom":2.815},"label":"Fe","xyz":[1.5198371385208533,2.697270796840118,5.317862412916752]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6247262497179731,0.6250153960015721,0.6250153960015861],"properties":{"magmom":2.815},"label":"Fe","xyz":[3.806970618699289,2.6972707946631242,6.622509810100992]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624897607729835,0.625194527243316,0.12501025729699902],"properties":{"magmom":0.298},"label":"Os","xyz":[3.800211552749232,2.691574934877846,3.9772819052061226]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624897607729899,0.125010257296871,0.625194527243365],"properties":{"magmom":0.298},"label":"Os","xyz":[3.058505850652266,0.5459540395121292,5.277540337391918]}]} | false | -33.274289 | -33.274289 | -0.273377 | 0 | true | -0.030374 | 0 | null | null | 6.366923 | false | true | true | FiM | 5.055473 | 0.048619 | 5.055473 | 6 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249617 | Dy2BrCl5 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.770727647765065,0.007908309634196,-1.20230988510147],[-3.706476886476937,5.768373070388013,-1.212928884001806],[0.042878307111217005,0.06365610633818501,6.76009443739443]],"pbc":[true,true,true],"a":6.87665358160379,"b":6.962994705355683,"c":6.760530116165889,"alpha":99.7739217107379,"beta":99.70483383411133,"gamma":119.51833612840554,"volume":265.3243699890626},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8342402223424941,0.164319097984851,0.9976697463899381],"properties":{"magmom":-0.0},"label":"Dy","xyz":[5.082146789385688,1.0179590612204368,5.542019056916755]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.168838532343244,0.8340144185212991,0.997461846722785],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-1.9053259708977184,4.875736076888801,5.528339867223114]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.93195113748623,0.581727998543065,0.251688306338387],"properties":{"magmom":0.0},"label":"Br","xyz":[4.164617920623239,3.3790157768380698,-0.12465203746134228]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.577994205926962,0.9386962136144911,0.227347121294208],"properties":{"magmom":0.0},"label":"Cl","xyz":[0.4439337908198714,5.43379294956505,-0.29661188809489447]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.212561520506959,0.208209986210313,0.22786748349594801],"properties":{"magmom":-0.0},"label":"Cl","xyz":[0.6772412342632407,1.2172190365223463,1.0322969841342031]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.795383212798455,0.7958720507758841,0.7633038468315051],"properties":{"magmom":-0.0},"label":"Cl","xyz":[2.4681709254325046,4.645765992736995,3.238372791460257]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42332077204664303,0.052093490677698,0.764177404948561],"properties":{"magmom":0.0},"label":"Cl","xyz":[2.705872969493506,0.3524869986583178,4.5937629760633545]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05571139654899301,0.42506674367239505,0.7704832439786521],"properties":{"magmom":-0.0},"label":"Cl","xyz":[-1.1652563505625155,2.5014301036019257,4.625981397913199]}]} | false | -15.967477 | -15.967477 | -2.469392 | 0 | true | -0.017302 | 5.0922 | 3.2625 | -1.8297 | -1.748957 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"Cl-",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249618 | Tb4GeAsS2 | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.208224848866305,-0.01162572685767,-4.682984874223156],[-1.041965095599263,5.1029465463900054,-4.682984871334532],[0.009512869589453,0.011625730208444,7.003989621764772]],"pbc":[true,true,true],"a":7.004005180329059,"b":7.0040061408388965,"c":7.0040057305858445,"alpha":131.8825906373174,"beta":131.8826030415482,"gamma":70.41451843926659,"volume":186.6303678363097},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7512221642313791,0.7512221642312861,3.55e-14],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.129786668599456,3.8247130448448856,-7.035924062382781]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248778835768618,0.24877883576871002,0.999999999999964],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.045990120516781,1.2782385962166936,4.673934572620148]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999656302453331,0.49965630245322507,0.5000000000000491],"properties":{"magmom":0.0},"label":"Tb","xyz":[4.6905668026055265,2.543910536966037,-3.519263438183472]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5003436975466681,0.000343697546775,0.49999999999995004],"properties":{"magmom":0.0},"label":"Tb","xyz":[2.6103007924837467,0.0017498761509054082,1.1572833129462414]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ge","xyz":[0.0,0.0,0.0]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":-0.0},"label":"As","xyz":[0.5253388253118555,3.8301163431823086,-1.1809900611743016]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"S","xyz":[2.083129876633521,2.545660409766168,-4.682984872778844]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"S","xyz":[3.6504337975446393,1.272830206558471,-1.1809900626186147]}]} | false | -23.124982 | -23.124982 | -1.930817 | 0 | true | -0.013749 | 0 | null | null | 5.35395 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Tb2+",
"Tb3+",
"As2-",
"S2-",
"Ge4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249619 | CeSi2Tc3Ru | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.200080661274145,-0.011284193676707,0.0],[-6.044097888150853,3.912822552588837,0.0],[0.0,0.0,4.04194617257262]],"pbc":[true,true,true],"a":7.200089503740967,"b":7.200090250100857,"c":4.04194617257262,"alpha":90.0,"beta":90.0,"gamma":147.17162044780042,"volume":113.59661437270978},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0000788139653451,0.9999211860345981,0.0],"properties":{"magmom":-0.001},"label":"Ce","xyz":[-6.043054061921291,3.9125132781755045,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41194817443299303,0.588051825565379,0.5],"properties":{"magmom":0.0},"label":"Si","xyz":[-0.5881827128407805,2.2962939421781843,2.02097308628631]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5900672041886701,0.40993279581235903,0.5],"properties":{"magmom":0.0},"label":"Si","xyz":[1.770857520277691,1.5973358558860553,2.02097308628631]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30622453965552404,0.693775460337896,0.0],"properties":{"magmom":0.0},"label":"Tc","xyz":[-1.9884054086978478,2.7111647706287885,0.0]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8113227805002121,0.188677219495915,0.5],"properties":{"magmom":0.0},"label":"Tc","xyz":[4.70120587803331,0.7291053562138816,2.02097308628631]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6966378304078441,0.303362169599012,0.0],"properties":{"magmom":0.0},"label":"Tc","xyz":[3.1822979220132463,1.179141342608451,0.0]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.1837216568494,0.816278343154834,0.5],"properties":{"magmom":0.0},"label":"Ru","xyz":[-3.6108554614668007,3.1918791595275904,2.02097308628631]}]} | false | -22.297858 | -22.297858 | -0.625476 | 0 | true | -0.008531 | 0 | null | null | 10.581765 | false | true | false | NM | 0.000388 | 0.000003 | 0.000388 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249620 | Dy4SiAsSe2 | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.27527878578926,0.001169187842877,-4.757538266490852],[-1.042692005296203,5.171206184138594,-4.757538261985884],[-0.000956304710454,-0.0011691858005380001,7.103713482670471]],"pbc":[true,true,true],"a":7.103712972236646,"b":7.103713840734403,"c":7.103713643256487,"alpha":132.05360073600178,"beta":132.0536027787885,"gamma":70.14438273753946,"volume":193.73613243444166},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757550377332123,0.7575503773319171,9.949999999999999e-14],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.206397712653686,3.9183349147468785,-7.208149814489892]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.242450622667881,0.242450622668087,0.9999999999999001],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.0252369957157146,1.2528764438094477,4.796777253607057]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0043462620265300005,0.504346262026373,0.500000000000071],"properties":{"magmom":0.0},"label":"Dy","xyz":[-0.503428223805115,2.607498997834418,1.1317325945482997]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49565373797346907,0.9956537379736261,0.49999999999992806],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.5760733040449824,5.148725686494369,-3.543095638102079]},{"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":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":-0.0},"label":"As","xyz":[0.5363225401199357,3.8781123421643957,-1.2056815217768908]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.116293390246528,2.5861876859907356,-4.757538264238368]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.0},"label":"Se","xyz":[3.695307935662667,1.2930938440165372,-1.2056815240293752]}]} | false | -24.28046 | -24.28046 | -1.776507 | 0 | true | -0.007072 | 0 | null | null | 5.066584 | 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-3249621 | Tb3PaN4 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.491021032829762,-0.005249515799973001,-4.012368118290636],[-0.9029808785005411,4.399308147341141,-4.012368117498744],[0.004286369094858001,0.005249513712735,6.022320935845829]],"pbc":[true,true,true],"a":6.022324749746611,"b":6.022323849853988,"c":6.02232474918791,"alpha":131.73748442192837,"beta":131.73747912859957,"gamma":70.64396249685755,"volume":119.14613427599967},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.4476627838794637,3.3007934884122294,-1.0012076497738023]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.7940200771646104,2.197029315770584,-4.01236811789469]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Tb","xyz":[3.1446637395446153,1.098514656841673,-1.0012076501697487]},{"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":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":0.0},"label":"N","xyz":[-0.44934725470284154,2.2022788305269376,1.0049764091735427]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.235178178173121,0.23517817817342002,1.776e-13],"properties":{"magmom":-0.0},"label":"N","xyz":[0.8438287467068809,1.0333867037530453,-1.8872428482529053]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":0.0},"label":"N","xyz":[2.24765370096231,-1.0436190002460766e-9,1.0049764087775963]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7648218218268781,0.7648218218265791,0.999999999999829],"properties":{"magmom":-0.0},"label":"N","xyz":[2.748497776717195,3.3659214415008534,-0.11517245169059835]}]} | false | -27.843168 | -27.843168 | -1.961878 | 0 | true | -0.02223 | 0 | null | null | 7.393398 | 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-3249622 | NdErCBr | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.711398550483395,5.3451936000000006e-9,0.0],[-1.855701265997842,3.214166504458292,0.0],[0.0,0.0,14.395646877312233]],"pbc":[true,true,true],"a":3.711398550483395,"b":3.7114004778530205,"c":14.395646877312233,"alpha":90.0,"beta":90.0,"gamma":120.00001822606907,"volume":171.72643335343093},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.908183697639223],"properties":{"magmom":-0.001},"label":"Nd","xyz":[1.8557004673562343,1.07138776699407,13.073891810945957]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.408183697639223],"properties":{"magmom":-0.001},"label":"Nd","xyz":[-3.1828706831709348e-6,2.142778742809413,5.876068372289842]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.089939600320072],"properties":{"magmom":-0.0},"label":"Er","xyz":[-3.1828706831709348e-6,2.142778742809413,1.2947387264943548]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5899396003200721],"properties":{"magmom":-0.0},"label":"Er","xyz":[1.8557004673562343,1.07138776699407,8.492562165150472]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.010362014800904],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,0.1491679060112968]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.510362014800904],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,7.346991344667414]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.24151368723979502],"properties":{"magmom":-0.0},"label":"Br","xyz":[1.8557004673562343,1.07138776699407,3.4767457575417184]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.741513687239795],"properties":{"magmom":-0.0},"label":"Br","xyz":[-3.1828706831709348e-6,2.142778742809413,10.674569196197835]}]} | false | -22.788703 | -22.788703 | -1.151313 | 0 | true | -0.157774 | 0 | null | null | 5.095776 | false | true | false | NM | 0.003222 | 0.000019 | 0.001611 | 0 | 0 | [
"Br-",
"Nd2+",
"Er3+",
"C4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249623 | Dy2PaOs2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.011289070217799,-0.07257198187305801,-3.030057440504283],[-0.817089941420947,3.841707631577902,-4.344324492266748],[-0.042665975838969,0.072570996367357,5.855974184786144]],"pbc":[true,true,true],"a":5.856580310265772,"b":5.856578249541614,"c":5.8565792565190975,"alpha":137.10178569141564,"beta":121.58146348325315,"gamma":75.15090586964347,"volume":113.6409099421593},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.698612827189521,0.198613827188651,0.499998999999185],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.3173325195323637,0.7486019638290745,-0.051698672601717933]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.301386172810481,0.8013871728113451,0.500001000000814],"properties":{"magmom":-0.0},"label":"Dy","xyz":[0.8341948050465211,3.093108596522725,-1.4667103896502145]},{"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":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.732077489988839,0.500000000001783,0.23207748999067201],"properties":{"magmom":0.0},"label":"Os","xyz":[3.2502051408409085,1.8845675961457153,-3.0313593014521616]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.267921510011156,0.500000999998214,0.7679225100093271],"properties":{"magmom":0.0},"label":"Os","xyz":[0.9013221837379406,1.957142964206088,1.5129502392002458]}]} | false | -49.829641 | -49.829641 | -0.471625 | 0 | true | -0.182259 | 0 | null | null | 6.593309 | 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-3249624 | Th2Fe2CuSi3 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.513566229605349,0.008171653290315,0.0],[-7.536581503052405,3.959903476551527,0.0],[0.0,0.0,4.067432874691719]],"pbc":[true,true,true],"a":8.513570151340398,"b":8.513571300914588,"c":4.067432874691719,"alpha":90.0,"beta":90.0,"gamma":152.22647553809122,"volume":137.37545810497235},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6140786727692741,0.385921327236147,0.25],"properties":{"magmom":-0.0},"label":"Th","xyz":[2.3194719143279854,1.5332292434046453,1.0168582186729298]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38427726057626105,0.615722739415524,0.75],"properties":{"magmom":-0.0},"label":"Th","xyz":[-1.3688747004404833,2.4413427969441446,3.0505746560187896]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25105406168943,0.7489459383112871,0.25],"properties":{"magmom":0.003},"label":"Fe","xyz":[-3.5071267240586845,2.9678051516172625,1.0168582186729298]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7502081425761981,0.24979185742506602,0.75],"properties":{"magmom":-0.003},"label":"Fe","xyz":[4.504370015528818,0.9952820854684862,3.0505746560187896]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9650419102817481,0.034958089720341,0.25],"properties":{"magmom":-0.0},"label":"Cu","xyz":[7.952483725160158,0.14631664891862423,1.0168582186729298]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.033972125854312,0.966027874144025,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-6.9913238642857225,3.825654745702622,3.0505746560187896]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8162931568374311,0.18370684315778602,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[5.5650442573819765,0.7341318315477551,1.0168582186729298]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.185072669415347,0.81492733058981,0.75],"properties":{"magmom":-0.0},"label":"Si","xyz":[-4.566137817697622,3.2285459192274195,3.0505746560187896]}]} | false | -27.210054 | -27.210054 | -0.59188 | 0 | true | -0.019528 | 0 | null | null | 8.732849 | false | true | false | NM | 0.001135 | 0.000008 | 0.001135 | 0 | 0 | [
"Th3+",
"Th4+",
"Si4-",
"Fe2+",
"Cu+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249625 | Ca2La(AlSi)2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.044916254232925,-1.0724931e-9,-0.8660682056709551],[-0.22720632262801702,4.43443147169473,-1.061151814303541],[-0.039379948342379005,-0.032050549020955,9.694882768197948]],"pbc":[true,true,true],"a":4.13659541659948,"b":4.565287325371596,"c":9.69501572495504,"alpha":103.617855412273,"beta":102.31794442506143,"gamma":90.00000213731175,"volume":173.6010650173236},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.186630890876458,0.186629890876567,0.37326078175313104],"properties":{"magmom":-0.0},"label":"Ca","xyz":[0.6978038425459492,0.815634248478663,3.259041792971438]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.813370109123539,0.8133691091234351,0.6267392182468681],"properties":{"magmom":-0.0},"label":"Ca","xyz":[3.080530412839144,3.586742238691156,4.508621150335614]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000999999997,0.0,0.0],"properties":{"magmom":-0.0},"label":"La","xyz":[2.022462172032705,-5.362476224930969e-10,-0.43303496890368065]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.069075641896631,0.5690746418967331,0.138151283793675],"properties":{"magmom":0.0},"label":"Al","xyz":[0.14466743957381492,2.5190946772026614,0.6756616946998834]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9309253581033731,0.430924358103261,0.8618487162063241],"properties":{"magmom":0.0},"label":"Al","xyz":[3.633666815811309,1.8832818099671218,7.092001248607171]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.642944511099081,0.6429425110990571,0.28588802219790205],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.4433178443606156,2.841921636948586,1.5325574488214233]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.357056488900923,0.35705648890094405,0.714111977802097],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.335016411024506,1.5604548502212285,6.235105494485623]}]} | false | -11.302773 | -11.302773 | -0.612331 | 0 | true | -0.012381 | 0 | null | null | 5.575213 | false | true | false | NM | 0.000026 | 0 | 0.000026 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249626 | CaLaGeRh3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.714652067773563,-0.0070660437560500005,2.082912381426085],[1.354175431198896,4.515994320309694,2.082912384990929],[-0.009510170006906,-0.007066044540438,5.154257979992141]],"pbc":[true,true,true],"a":5.154271824208923,"b":5.154271995450059,"c":5.154271597096109,"alpha":66.2700216707843,"beta":66.27001748041017,"gamma":66.27002124196723,"volume":109.92944452146278},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6284829112346131,0.6284829112345911,0.6284829112347761],"properties":{"magmom":-0.0},"label":"Ca","xyz":[3.8081773950025792,2.8293434815527125,5.857512737411508]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36730839881283806,0.36730839881292304,0.36730839881209904],"properties":{"magmom":-0.0},"label":"La","xyz":[2.225638146001342,1.653571808117149,3.4233446703830728]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0008084348188,0.0008084348187930001,0.0008084348188850001],"properties":{"magmom":0.0},"label":"Ge","xyz":[0.00489856310688368,0.003639462177767948,0.007534679406717823]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0007428321749430001,0.0007428321749920001,0.5019125907840231],"properties":{"magmom":0.0},"label":"Rh","xyz":[-0.00026515373648074755,-0.00019715972333091798,2.590081484978852]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501912590783817,0.000742832174964,0.0007428321750780001],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.3673420946010775,-0.00019715933034531968,1.0508159527406493]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000742832174985,0.5019125907837391,0.0007428321751340001],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.6831728298382546,2.266623911501402,1.0508159545274114]}]} | false | -21.312457 | -21.312457 | -0.801834 | 0 | true | -0.040646 | 0 | null | null | 9.159042 | false | true | false | NM | 0.000009 | 0 | 0.000009 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249627 | CaLaNiIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.681264768194969,-8.381214e-10,2.7027293989992622],[1.5604219198673641,4.413538307854896,2.702729400598392],[0.09309646729076201,0.06582880930458,5.244211426994004]],"pbc":[true,true,true],"a":5.405458910597545,"b":5.405458646198688,"c":5.245450779043776,"alpha":58.985694122525906,"beta":58.98569235539595,"gamma":59.99999533708643,"volume":106.6845819802934},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00011880306008200001,0.000118803060068,0.999642590819775],"properties":{"magmom":0.0},"label":"Ca","xyz":[0.09380472523729882,0.0663296233404122,5.242979282733457]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750421108401496,0.750421108401496,0.748737674795513],"properties":{"magmom":-0.0},"label":"La","xyz":[4.7535982752015595,3.3613008179372588,7.982909053796241]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37440217622043503,0.37440217622050603,0.8767934713385941],"properties":{"magmom":0.0},"label":"Ni","xyz":[2.418527454021995,1.7101566172038976,6.6219058795470485]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.374467480131542,0.8761229520547,0.37494208768208603],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.15500866426142,3.891484202160773,5.346283109261367]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.374467480131841,0.374467480131677,0.37494208768202203],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.372214469652721,1.6774085594834804,3.990444116324424]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8761229520546081,0.374467480131549,0.37494208768200105],"properties":{"magmom":-0.0},"label":"Ir","xyz":[4.7205965561367895,1.6774085590624659,5.346283108458479]}]} | false | -34.91125 | -34.91125 | -0.604108 | 0 | true | -0.005194 | 0 | null | null | 8.052387 | false | true | false | NM | 0.000004 | 0 | 0.000004 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249628 | SrThIr4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.705994457301442,8.285908e-10,2.717007486192339],[1.568664488401258,4.436853901318106,2.71700748619234],[-3.2014295000000004e-9,-2.2637524e-9,5.434013983488439]],"pbc":[true,true,true],"a":5.434014493187988,"b":5.4340142159216045,"c":5.434013983488439,"alpha":59.99999542876255,"beta":59.999997116630674,"gamma":59.99999984600917,"volume":113.46117884318029},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Sr","xyz":[1.5686647356253176,1.1092134749707359,2.7170072389682796]},{"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":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624868479232631,0.6248684792323971,0.6248684792322621],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.9208365911038308,2.7724501489961852,6.791088725909994]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125395562302586,0.6248684792325531,0.6248684792322261],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.5703198124590998,2.772450148583019,5.434017071460966]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248684792325531,0.12539556230304,0.6248684792319991],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.1373311633981897,0.5563617889154334,5.434017071460965]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248684792322261,0.6248684792319991,0.125395562303509],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.920836592700328,2.7724501501251027,4.076945910943208]}]} | false | -50.339431 | -50.339431 | -0.663041 | 0 | true | -0.03191 | 0 | null | null | 7.684494 | 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-3249629 | TbDy(SeBr)2 | 25 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.137424706216002,0.0,0.0],[0.0,5.622881107842165,0.0],[0.0,0.0,8.406176427335199]],"pbc":[true,true,true],"a":4.137424706216002,"b":5.622881107842165,"c":8.406176427335199,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":195.56336654432744},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.859397556738123],"properties":{"magmom":0.0},"label":"Tb","xyz":[2.068712353108001,0.0,7.224247483161474]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.14068109829080502],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,2.8114405539210825,1.1825901322237913]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.904792471797854],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.068712353108001,2.8114405539210825,7.605845148057468]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.09692959208603401],"properties":{"magmom":-0.0},"label":"Se","xyz":[0.0,0.0,0.8148072521048355]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6305001447080151],"properties":{"magmom":0.0},"label":"Br","xyz":[0.0,0.0,5.300095453875948]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.36769813637918203],"properties":{"magmom":-0.0},"label":"Br","xyz":[2.068712353108001,2.8114405539210825,3.090935406405763]}]} | false | -21.912131 | -21.912131 | -2.187278 | 0 | true | -0.013959 | 2.8099 | 3.1281 | 0.3182 | 0.401977 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"Se2-",
"Dy3+",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249630 | YbDyPaIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.861112897059342,0.015289081908707002,2.142080006848852],[1.402810572089415,4.6543277289505784,2.142080010327138],[0.020509214585969,0.015289075515305001,5.31210883489969]],"pbc":[true,true,true],"a":5.312170847188921,"b":5.312170072605657,"c":5.312170428133155,"alpha":65.99748941968014,"beta":65.99749217557735,"gamma":65.99750328728935,"volume":119.75659417323249},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750505173502624,0.750505173502368,0.750505173502638],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.716499241671533,3.5160461050958354,7.202049419804411]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.504350264483534,0.5043502644843011,0.504350264483463],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.1695552861716494,2.362833522877059,4.839880733600735]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.123354600196329,0.123354600195583,0.12335460019640002],"properties":{"magmom":-0.0},"label":"Pa","xyz":[0.7752136811617951,0.5779046925676949,1.1837439076230598]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623461789600355,0.12416358610862901,0.12416358610854401],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.207442635142966,0.5893285265637483,2.2610438530909778]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12416358610855101,0.12416358610862901,0.623461789600334],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.7905379126682002,0.5893285233715341,3.8438335519539155]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12416358610861501,0.62346178960049,0.12416358610861501],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.4807184971543454,2.9055921889610716,2.2610438548283156]}]} | false | -51.397417 | -51.397417 | -0.989874 | 0.038021 | false | null | 0 | null | null | 7.886279 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249631 | Dy3SiSe2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.27600491869031,0.024647916136841003,-4.759331588609872],[-0.514229689744246,3.90439116419902,-5.914337209320265],[-0.017146418487356003,-0.024647914503754,7.105433160730536]],"pbc":[true,true,true],"a":7.105495942730107,"b":7.105496968012868,"c":7.105496599180487,"alpha":146.5206648105343,"beta":132.19127428082365,"gamma":59.62266016856156,"volume":145.31348906347833},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8428399509148711,0.342839950914879,0.49999999999981504],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.261956035860994,1.3470315662615358,-2.486309300704988]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[2.629429250101477,8.165435012169597e-10,1.1730507860603319]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.157160049085128,0.657160049085121,0.5000000000001841],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.4826727745977095,2.5573595995705714,-1.081926336494615]},{"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":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.669015764453149,0.6690157644532421,3.55e-14],"properties":{"magmom":0.0},"label":"Se","xyz":[3.1857026949473712,2.6285890838975563,-7.140852690367253]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33098423554684303,0.33098423554675804,0.999999999999964],"properties":{"magmom":0.0},"label":"Se","xyz":[1.558926115511295,1.2758020819345512,3.5726170531676855]}]} | false | -23.971152 | -23.971152 | -1.747436 | 0 | true | -0.038329 | 0 | null | null | 5.209145 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [
"Se2-",
"Si4-",
"Dy3+",
"Dy2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249632 | SmThCBr | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.748294202774762,-3.6379353000000005e-9,0.0],[-1.874147607675875,3.246118258029947,0.0],[0.0,0.0,15.01170955507415]],"pbc":[true,true,true],"a":3.748294202774762,"b":3.7482946789803733,"c":15.01170955507415,"alpha":90.0,"beta":90.0,"gamma":120.00000478923423,"volume":182.65356853264575},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.908020857993001],"properties":{"magmom":0.0},"label":"Sm","xyz":[1.8741488067717988,1.0820383348786147,13.63094539014016]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.40802085799300103],"properties":{"magmom":0.0},"label":"Sm","xyz":[-2.21167291396578e-6,2.1640799195133935,6.125090612603087]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.08901393608928],"properties":{"magmom":-0.0},"label":"Th","xyz":[-2.21167291396578e-6,2.1640799195133935,1.3362513549262043]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5890139360892801],"properties":{"magmom":-0.0},"label":"Th","xyz":[1.8741488067717988,1.0820383348786147,8.84210613246328]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9976353931775741],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,14.976212764243945]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49763539317757405],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,7.47035798670687]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.255328812740138],"properties":{"magmom":0.0},"label":"Br","xyz":[1.8741488067717988,1.0820383348786147,3.832921977896868]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7553288127401381],"properties":{"magmom":0.0},"label":"Br","xyz":[-2.21167291396578e-6,2.1640799195133935,11.338776755433944]}]} | false | -32.686996 | -32.686996 | -1.083421 | 0 | true | -0.134146 | 0 | null | null | 6.513756 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249633 | NaLaPt4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.702113351466929,-2.8224581e-9,2.714766166601565],[1.567371445155523,4.433194763765198,2.714766166601565],[0.0,0.0,5.42953233320313]],"pbc":[true,true,true],"a":5.429532697145134,"b":5.429532613392118,"c":5.42953233320313,"alpha":60.000001707067206,"beta":60.00000221733713,"gamma":59.999997534778394,"volume":113.18068801567986},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Na","xyz":[4.702113597466839,3.324896070707055,8.144298499804695]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"La","xyz":[3.134742398311226,2.21659738047137,5.42953233320313]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124460916073374,0.6266182517791631,0.12446091607372901],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.567372890056351,2.7779207523158025,2.714768881367718]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12446091607380701,0.12446091607372901,0.6266182517791911],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.7803058210983137,0.5517594810801895,4.0780086266529425]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6266182517790141,0.124460916073374,0.12446091607380701],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.1415065338542725,0.5517594796612977,2.7147688813677373]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12446091607380701,0.12446091607372901,0.12446091607326701],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.7803058210983137,0.5517594810801895,1.3515291360824888]}]} | false | -40.822843 | -40.822843 | -0.946205 | 0 | true | -0.107795 | 0 | null | null | 8.79955 | 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-3249634 | Yb2Cd3Pd2Pb | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.374299401464288,0.00545368237542,-0.001496883806882],[-3.675609185197699,3.9208445176744653,0.0014968848700600002],[0.039239853173448004,-0.016977143623309,8.387813729884085]],"pbc":[true,true,true],"a":5.374302377043182,"b":5.374302452853944,"c":8.387922696157533,"alpha":90.25196355827508,"beta":89.74803766451987,"gamma":133.09282978580157,"volume":176.9146817317191},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43405449536369606,0.565945504636282,0.26249677547522704],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.2628446544016818,2.2168950790491135,2.2019714834991637]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.56525261500635,0.43474738499416704,0.739544360271224],"properties":{"magmom":-0.0},"label":"Yb","xyz":[1.4688949210918045,1.6951042584316773,6.20296498823801]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.857618103218534,0.142381896780818,0.550087931053823],"properties":{"magmom":-0.0},"label":"Cd","xyz":[4.107341620845897,0.5535955343325762,4.612964475392652]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145268213214166,0.854731786785862,0.454505500447666],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-2.343110405957786,3.3443464818368778,3.8133694624063543]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8547327375974301,0.145267262402065,0.940282018484985],"properties":{"magmom":-0.0},"label":"Cd","xyz":[4.096540484435231,0.5582684873792096,7.885848437384562]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.277641345174998,0.7223586548256761,0.7490703357885801],"properties":{"magmom":0.0},"label":"Pd","xyz":[-1.1335869814956485,2.821053064604179,6.283728138083786]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7240636287780331,0.275936371221412,0.251448836375118],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.8869672815922938,1.0815835383723544,2.108435207968702]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14136886164679602,0.8586311383537001,0.052563242103367006],"properties":{"magmom":0.0},"label":"Pb","xyz":[-2.394171336393096,3.366437798677391,0.4419643430020106]}]} | false | -29.974563 | -29.974563 | -0.527093 | 0.017613 | false | null | 0 | null | null | 4.959448 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249635 | AcPmCu4 | 191 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.30526045219598,-6.0802571000000006e-9,0.0],[-2.152629736644074,3.728463960747357,0.0],[0.0,0.0,7.739364033303686]],"pbc":[true,true,true],"a":4.30526045219598,"b":4.3052593754239945,"c":7.739364033303686,"alpha":90.0,"beta":90.0,"gamma":120.00000083286346,"volume":124.23233666328902},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.0,0.0,3.869682016651843]},{"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":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333499999999805,0.22758639347495802],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.1526282366198717,1.2428275303022063,1.7613739481293909]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.22758639347495802],"properties":{"magmom":0.0},"label":"Cu","xyz":[3.2630229947838005e-7,2.485640152828844,1.7613739481293909]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333499999999805,0.772414606525039],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.1526282366198717,1.2428275303022063,5.977997824538305]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.772414606525039],"properties":{"magmom":0.0},"label":"Cu","xyz":[3.2630229947838005e-7,2.485640152828844,5.977997824538305]}]} | false | -23.790945 | -23.790945 | -0.196732 | 0 | true | -0.105232 | 0 | null | null | 5.787098 | 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-3249636 | HoPuO4 | 123 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.732545663472102,0.0,0.0],[0.0,3.732545663472102,0.0],[0.0,0.0,5.308777602168129]],"pbc":[true,true,true],"a":3.732545663472102,"b":3.732545663472102,"c":5.308777602168129,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":73.9613434389469},"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":0.012},"label":"Ho","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":3.288},"label":"Pu","xyz":[1.866272831736051,1.866272831736051,2.6543888010840644]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7392066754044031],"properties":{"magmom":-0.064},"label":"O","xyz":[1.866272831736051,0.0,3.924283841760061]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.260793324595596],"properties":{"magmom":-0.064},"label":"O","xyz":[0.0,1.866272831736051,1.3844937604080627]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.260793324595596],"properties":{"magmom":-0.064},"label":"O","xyz":[1.866272831736051,0.0,1.3844937604080627]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.7392066754044031],"properties":{"magmom":-0.064},"label":"O","xyz":[0.0,1.866272831736051,3.924283841760061]}]} | false | -27.438943 | -27.438943 | -3.584305 | 0 | true | -0.101509 | 0.5702 | 6.0286 | 5.4584 | 5.602428 | false | false | true | FM | 3.000161 | 0.040564 | 3.000161 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249637 | CeThNpAs3 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.265957138415723,0.0,0.0],[-2.132978569207861,3.694426852136549,0.0],[0.0,0.0,10.394904698185952]],"pbc":[true,true,true],"a":4.265957138415723,"b":4.265956790977563,"c":10.394904698185952,"alpha":90.0,"beta":90.0,"gamma":120.00000269415807,"volume":163.82646934814883},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.995264503894802],"properties":{"magmom":-0.016},"label":"Ce","xyz":[0.0,0.0,10.345679667473789]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.336872885841394],"properties":{"magmom":-0.002},"label":"Th","xyz":[2.132980702186407,1.2314743859032435,3.5017615437241667]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6678816485967971],"properties":{"magmom":-3.898},"label":"Np","xyz":[-2.1329785474584315e-6,2.4629524662333018,6.942566086831025]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.170644739224414],"properties":{"magmom":-0.004},"label":"As","xyz":[-2.1329785474584315e-6,2.4629524662333018,1.7738358014845779]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8273559479494701],"properties":{"magmom":0.054},"label":"As","xyz":[2.132980702186407,1.2314743859032435,8.600286230412038]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.501980274493114],"properties":{"magmom":0.046},"label":"As","xyz":[0.0,0.0,5.218037113725145]}]} | false | -40.145476 | -40.145476 | -1.56836 | 0.024598 | false | null | 0 | null | null | 7.068112 | false | true | true | FM | 4.025488 | 0.024572 | 4.025488 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249638 | TmInNi3Pt | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.280069586567357,0.0,2.471099409901139],[1.426689862189118,4.242020619515923,2.471099409901139],[0.0,0.0,4.942198819802278]],"pbc":[true,true,true],"a":4.942198696883061,"b":5.112388403954185,"c":4.942198819802278,"alpha":61.09523571795796,"beta":59.999999177261934,"gamma":61.09523598022804,"volume":89.73127067728475},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7511474917617771,0.746556524714669,0.7511474917617771],"properties":{"magmom":0.0},"label":"Tm","xyz":[4.280068159877494,3.166908171473775,7.413295758604008]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.992561469732514,0.022315590802463002,0.992561469732514],"properties":{"magmom":0.0},"label":"In","xyz":[4.280069586567364,0.09466319632072794,7.413298229703429]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37578253958560703,0.36981992414775505,0.37578253958574903],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.135993755460551,1.5687837437425916,3.699649831795338]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8786149966810081,0.36981992414775505,0.37578253958560703],"properties":{"magmom":-0.0},"label":"Ni","xyz":[4.2881516622135125,1.5687837437425916,4.942198819802222]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37578253958560703,0.36981992414775505,0.8786149966808661],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.135993755460551,1.5687837437425916,6.184747807809105]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37611096265346305,0.8716671120396021,0.37611096265346305],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.8533797243782244,3.6976298626258886,4.942198819802257]}]} | false | -24.76386 | -24.76386 | -0.575109 | 0 | true | -0.005403 | 0 | null | null | 8.118583 | false | true | false | NM | 0.000146 | 0.000002 | 0.000146 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249639 | TmLu(SeI)2 | 25 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.153584784827003,0.0,0.0],[0.0,5.534246516677726,0.0],[0.0,0.0,9.449770527304107]],"pbc":[true,true,true],"a":4.153584784827003,"b":5.534246516677726,"c":9.449770527304107,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":217.22151722143977},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.11762592828675601],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.0,2.767123258338863,1.1115380303709734]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.882103319373555],"properties":{"magmom":0.0},"label":"Lu","xyz":[2.0767923924135014,0.0,8.335673949453343]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.915991630816094],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.0767923924135014,2.767123258338863,8.65591071614315]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.081206993571157],"properties":{"magmom":0.0},"label":"Se","xyz":[0.0,0.0,0.7673874544596936]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.656265342778901],"properties":{"magmom":-0.0},"label":"I","xyz":[0.0,0.0,6.201556894283186]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.346806785173541],"properties":{"magmom":-0.0},"label":"I","xyz":[2.0767923924135014,2.767123258338863,3.277244537202015]}]} | false | -27.081703 | -27.081703 | -1.9248 | 0 | true | -0.055874 | 2.7208 | 3.5645 | 0.8437 | 0.903319 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Tm3+",
"I-",
"Lu3+",
"Se2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249640 | TbTa4(NbSn3)2 | 35 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.763788000028566,-0.001635561718263,0.0],[-2.883310097728168,4.9940394769442245,0.0],[0.0,0.0,9.612590687183138]],"pbc":[true,true,true],"a":5.763788232086206,"b":5.7666201034001325,"c":9.612590687183138,"alpha":90.0,"beta":90.0,"gamma":120.01625906864948,"volume":276.6491005091828},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9994773165069751],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,9.607566344705743]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.751001559608759],"properties":{"magmom":-0.0},"label":"Ta","xyz":[-1.441655048864084,2.4970197384721122,7.219070597955169]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.7509012266907431],"properties":{"magmom":0.0},"label":"Ta","xyz":[1.4402389511501992,2.4962019576129806,7.218106138681832]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7509012266907431],"properties":{"magmom":0.0},"label":"Ta","xyz":[2.881894000014283,-0.0008177808591315,7.218106138681832]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.249521544854957],"properties":{"magmom":-0.0},"label":"Ta","xyz":[-1.441655048864084,2.4970197384721122,2.3985484783243094]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.24952205127498603],"properties":{"magmom":0.0},"label":"Nb","xyz":[1.4402389511501992,2.4962019576129806,2.398553346332764]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.24952205127498603],"properties":{"magmom":0.0},"label":"Nb","xyz":[2.881894000014283,-0.0008177808591315,2.398553346332764]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6676418926327791,0.333820946316471,0.500524363077396],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.8856370237257187,1.666023014614236,4.811335831226049]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33235810736722005,0.666179053683528,0.500524363077396],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-0.005159121425322986,3.3263809006117206,4.811335831226049]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6669659640352991,0.333482482017728,0.999814614925362],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.8827170121169736,1.6643338160677157,9.610808656341131]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33303403596470105,0.6665175179822711,0.999814614925362],"properties":{"magmom":0.0},"label":"Sn","xyz":[-0.002239109816572213,3.3280700991582415,9.610808656341131]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.671399598519272],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,6.453889528104852]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.32707346857303304],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.0,0.0,3.144023378029824]}]} | false | -32.856358 | -32.856358 | -0.276434 | 0 | true | -0.023224 | 0 | null | null | 7.447873 | 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-3249641 | Nd4ZnGa3Pd4 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.532476744298527,0.0,0.0],[0.0,7.108807139770179,-0.02596618012758],[0.0,-0.028942989335188,7.740228755988081]],"pbc":[true,true,true],"a":4.532476744298527,"b":7.108854562653388,"c":7.7402828689690955,"alpha":90.42352682992264,"beta":90.0,"gamma":90.0,"volume":249.39065783564666},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.022167044150208003,0.6978407418268371],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.1331191860746317,0.1373836445742456,5.400871383526838]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.5251974027805061,0.803787804449406],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.1331191860746317,3.7102630248228827,6.207864107348681]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.976025157403661,0.30447777338721904],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.399357558223895,6.92956211059851,2.331383972084782]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.475216599360464,0.194924677549764],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.399357558223895,3.3725814516074837,1.4964220346037778]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.16672773894067902,0.077129998281556],"properties":{"magmom":-0.0},"label":"Zn","xyz":[1.1331191860746317,1.1830029682615515,0.5926745481466132]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.6714015925211351,0.424678401803156],"properties":{"magmom":0.0},"label":"Ga","xyz":[1.1331191860746317,4.7605729721130405,3.269674242994501]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.8349698798615891,0.9256497285415711],"properties":{"magmom":-0.0},"label":"Ga","xyz":[3.399357558223895,5.908848773231815,7.143059668528441]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.33302712648557503,0.5733970721320311],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.399357558223895,2.350829789154257,4.429577063962024]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.28775888828336305,0.40518416304860905],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.1331191860746317,2.0338951986511975,3.1287461111733292]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7787702189631951,0.09906813387250601],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.1331191860746317,5.533259964863818,0.7465883308184547]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.713508826519593,0.5975464478388021],"properties":{"magmom":0.0},"label":"Pd","xyz":[3.399357558223895,5.054901859784446,4.606619099888402]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.21523052473004603,0.896316057268549],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.399357558223895,1.504090224810952,6.932102606349789]}]} | false | -21.916314 | -21.916314 | -0.853582 | 0 | true | -0.006441 | 0 | null | null | 5.995869 | 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-3249642 | Yb7Cd2SnN2 | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[12.172707891178598,-0.061663728521264005,0.0],[-11.196451152281474,4.77683178215543,0.0],[0.0,0.0,4.788393689419278]],"pbc":[true,true,true],"a":12.172864076271322,"b":12.172864916708614,"c":4.788393689419278,"alpha":90.0,"beta":90.0,"gamma":157.18530440288004,"volume":275.12464370991785},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9047700698607951,0.095229930115287,0.0],"properties":{"magmom":0.002},"label":"Yb","xyz":[9.947264508325723,0.3991058608250823,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6951737603857631,0.304826239628724,0.0],"properties":{"magmom":0.001},"label":"Yb","xyz":[5.0491750168514224,1.413236663457882,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.005},"label":"Yb","xyz":[0.4881283694485621,2.357584026817083,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30482623961423605,0.6951737603712751,0.0],"properties":{"magmom":0.001},"label":"Yb","xyz":[-4.072918277954299,3.30193139017628,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09522993013920401,0.9047700698847121,0.0],"properties":{"magmom":0.002},"label":"Yb","xyz":[-8.9710077694286,4.316062192809079,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.595076594895466,0.40492340509776104,0.5],"properties":{"magmom":0.002},"label":"Yb","xyz":[2.709988436947165,1.8975563492125906,2.394196844709639]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.404923405104533,0.5950765949022381,0.5],"properties":{"magmom":0.002},"label":"Yb","xyz":[-1.7337316980500426,2.8176117044215707,2.394196844709639]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7900959681491171,0.20990303182192302,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[7.267438383767207,0.953951210292052,2.394196844709639]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20990303185088502,0.790095968178079,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-6.291182621126819,3.76121212817407,2.394196844709639]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.0,0.0,2.394196844709639]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6024350953741471,0.397563904620277,0.0],"properties":{"magmom":-0.0},"label":"N","xyz":[2.8819616013925895,1.861947500855116,0.0]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.397563904625847,0.6024350953797181,0.0],"properties":{"magmom":-0.0},"label":"N","xyz":[-1.9057058387522203,2.853215837610973,0.0]}]} | false | -29.165652 | -29.165652 | -0.922376 | 0 | true | -0.008093 | 0 | null | null | 3.708302 | false | true | false | NM | 0.019144 | 0.00007 | 0.019144 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249643 | Pr(TaSn)6 | 191 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.776897126509362,0.0,0.0],[-2.888448563254681,5.002940292673841,0.0],[0.0,0.0,9.633297151332457]],"pbc":[true,true,true],"a":5.776897126509362,"b":5.77689766869965,"c":9.633297151332457,"alpha":90.0,"beta":90.0,"gamma":119.99999689530418,"volume":278.41646211508066},"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":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.74990068693063],"properties":{"magmom":-0.0},"label":"Ta","xyz":[2.888448563254681,0.0,7.22401615119109]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.25009931306937],"properties":{"magmom":-0.0},"label":"Ta","xyz":[-1.4442242816273405,2.5014701463369207,2.409281000141366]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.25009931306937],"properties":{"magmom":-0.0},"label":"Ta","xyz":[2.888448563254681,0.0,2.409281000141366]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.25009931306937],"properties":{"magmom":-0.0},"label":"Ta","xyz":[1.4442242816273405,2.5014701463369207,2.409281000141366]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.74990068693063],"properties":{"magmom":-0.0},"label":"Ta","xyz":[1.4442242816273405,2.5014701463369207,7.22401615119109]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.74990068693063],"properties":{"magmom":-0.0},"label":"Ta","xyz":[-1.4442242816273405,2.5014701463369207,7.22401615119109]},{"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":[-2.888448534099676e-6,3.335295196095972,4.816648575666228]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.8884514517032125,1.6676450965778649,4.816648575666228]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.888448534099676e-6,3.335295196095972,0.0]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.8884514517032125,1.6676450965778649,0.0]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.33349124664269403],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,3.212620276277374]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6665087533573051],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,6.420676875055074]}]} | false | -36.34429 | -36.34429 | -0.234132 | 0 | true | -0.029898 | 0 | null | null | 7.550097 | false | true | false | NM | 0.000025 | 0 | 0.000025 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249644 | CsNdMnS3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.186735888498145,3.3985094000000003e-9,-5.8e-15],[2.0933669555257812,7.71690652262857,-0.0000129719655517],[-3.09e-14,-0.0000187993991182,11.058147393623834]],"pbc":[true,true,true],"a":4.186735888498145,"b":7.995800866057316,"c":11.058147393639814,"alpha":90.00018696179826,"beta":90.00000000000031,"gamma":74.82261315902645,"volume":357.27380803067115},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.739363623294345,0.521273753410419,0.250000000004206],"properties":{"magmom":0.003},"label":"Cs","xyz":[4.186737466468715,4.022616130430894,2.7645300865072926]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.260635376705657,0.47872724658957805,0.749999999995793],"properties":{"magmom":0.003},"label":"Cs","xyz":[2.0933632841862493,3.6942793131035634,8.293604335138001]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.039},"label":"Nd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.039},"label":"Nd","xyz":[-1.545e-14,-9.3996995591e-6,5.529073696811917]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46150466198787404,0.07698867602783101,0.24999999998622202],"properties":{"magmom":4.288},"label":"Mn","xyz":[2.0933636814001715,0.5941097179263556,2.7645358495591434]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.538495338012126,0.9230103239721711,0.7500000000137771],"properties":{"magmom":4.288},"label":"Mn","xyz":[4.186737069256773,7.122770291795099,8.293598572112096]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.383828894200313,0.23234021160009602,0.06579142200339301],"properties":{"magmom":0.041},"label":"S","xyz":[2.0933635277945144,1.7929464588309283,0.7275282278404028]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.049561705106953007,0.9008745897850401,0.250000000005187],"properties":{"magmom":0.052000000000000005},"label":"S","xyz":[2.093362866795281,6.951960298301169,2.764525162349172]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.383828894255465,0.232339211489787,0.43420857799663504],"properties":{"magmom":0.041},"label":"S","xyz":[2.0933614344275377,1.792931815052004,4.801539441166351]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.616171105744534,0.7676597885102151,0.565792422003362],"properties":{"magmom":0.041},"label":"S","xyz":[4.186739316229402,5.923948194650651,6.256606038652258]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9504372948930421,0.099126410214964,0.749999999994813],"properties":{"magmom":0.052000000000000005},"label":"S","xyz":[4.18673788385967,0.7649351452333426,8.293609259296133]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.616171105799686,0.7676587883999061,0.9342085779966071],"properties":{"magmom":0.041},"label":"S","xyz":[4.186737222862425,5.923933550890526,10.330606193830846]}]} | false | -17.342189 | -17.342189 | -1.790205 | 0 | true | -0.01698 | 1.3063 | 3.4216 | 2.1153 | 2.227386 | false | false | true | FM | 9.999966 | 0.02799 | 4.999983 | 2 | 1 | [
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mp-3249645 | Ac2Si4Ir5Ru | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.15609965260768,0.016109453164977,-2.882733897314862],[-1.477190404309886,4.959042905186285,-4.370200017567915],[-0.088386708786663,-0.016109444214485,6.797050399705625]],"pbc":[true,true,true],"a":6.7976449723448935,"b":6.772949595236498,"c":6.797644140481423,"alpha":130.0971954681832,"beta":115.83762974272135,"gamma":85.53493384879992,"volume":205.90524800426687},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748972910114162,0.024694703436431,0.27371674765367204],"properties":{"magmom":0.0},"label":"Ac","xyz":[4.550080170347884,0.13011821321253605,-0.4065438605028619]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249022044214733,0.975305296563682,0.7242782066753221],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.028276327591555215,4.828924700906854,-0.05718803803256421]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.579480647949139,0.373184307489047,0.7964401097708911],"properties":{"magmom":0.0},"label":"Si","xyz":[2.9456816174223803,1.8471419012200303,2.1120649926341604]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.077749166017504,0.288631471471617,0.20863645087450702],"properties":{"magmom":0.0},"label":"Si","xyz":[0.03382728464545005,1.4292273300969038,-0.06739494625280229]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.423254802285754,0.6268156925107321,0.20629634046380801],"properties":{"magmom":0.0},"label":"Si","xyz":[1.661438760499824,3.1119009968306943,-2.5572342927653553]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9200049794001041,0.7113685285286591,0.789117694543357],"properties":{"magmom":0.0},"label":"Si","xyz":[4.543068053945732,3.5298155840211365,-0.39727955457764325]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.003944293148968,0.498706791980481,0.0015024410798920001],"properties":{"magmom":-0.0},"label":"Ir","xyz":[-0.7125362218157857,2.473147715454007,-2.180606610893199]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.723165249980198,4.334e-13,0.7231652499805811],"properties":{"magmom":-0.0},"label":"Ir","xyz":[4.387959147825735,6.474827864855188e-9,2.8306976719537396]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.219272040763129,0.49999999999975103,0.7192720407628741],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.5476912434086033,2.4714667324472623,2.0717253587402262]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.276118651450183,0.9999999999995591,0.27611865144978504],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.19821831112547958,4.959042907655503,-3.2893842235793587]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.50279464909876,0.501293208019987,0.505236501168276],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.3100922565198796,2.4858951942701544,-0.2060568026294487]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.776218565577366,0.49999999999961603,0.276218565577018],"properties":{"magmom":-0.0},"label":"Ru","xyz":[4.015469589826953,2.4875761816460247,-2.5452600679358865]}]} | false | -39.23646 | -39.23646 | -0.937184 | 0 | true | -0.264209 | 0 | null | null | 9.433063 | 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-3249646 | CsTmMnS3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.013823599894375,0.030638872337782,2.5405246718e-6],[-7.018585254417798,3.868045165611662,-2.5401048673e-6],[2.922500948e-6,-1.2730833091e-6,10.55228071946613]],"pbc":[true,true,true],"a":8.013882169755718,"b":8.013882478346506,"c":10.552280719466612,"alpha":90.00003539460248,"beta":89.99996599457481,"gamma":150.92114167217542,"volume":329.36699976396454},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7624865926987351,0.23751540730037102,0.250000485631858],"properties":{"magmom":0.005},"label":"Cs","xyz":[4.4434116464234075,0.9420817340680064,2.6380766381921834]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23751540730125903,0.762486592699623,0.749999514368141],"properties":{"magmom":0.005},"label":"Cs","xyz":[-3.4481683879691976,2.956608828166181,7.914204081693743]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000999999997,0.500000999999997,0.0],"properties":{"magmom":0.054},"label":"Tm","xyz":[0.4976201679766311,1.9493459176587484,2.099026698044313e-10]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000999999997,0.500000999999997,0.5],"properties":{"magmom":0.054},"label":"Tm","xyz":[0.4976216292271051,1.949345281117094,5.276140359942968]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.041260035615863,0.9587419643840961,0.249999040460046],"properties":{"magmom":4.268},"label":"Mn","xyz":[-6.398360836244453,3.709721063099212,2.638057724048585]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9587419643841311,0.041260035615899006,0.750000959539953],"properties":{"magmom":4.268},"label":"Mn","xyz":[7.393604094698654,0.18896949913497946,7.914222995837341]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11273223791967901,0.8872697620827661,0.05362872196980101],"properties":{"magmom":0.044},"label":"S","xyz":[-5.323962043405268,3.4354534341897955,0.5659033614923313]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.451696916943973,0.5483050830556301,0.24999975081480103],"properties":{"magmom":0.062},"label":"S","xyz":[-0.22850582722692248,2.134707991696737,2.6380673051891135]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.112732352356566,0.887269647643222,0.446369409840613],"properties":{"magmom":0.044},"label":"S","xyz":[-5.323959175339513,3.4354524950470733,4.710213349861948]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8872696476434281,0.11273235235677201,0.5536305901593861],"properties":{"magmom":0.044},"label":"S","xyz":[6.319202433793723,0.4632380671871145,5.842067370023979]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5483050830560281,0.45169691694437103,0.750000249185198],"properties":{"magmom":0.062},"label":"S","xyz":[1.223749085681139,1.7639825705374783,7.914213414696813]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.887269762080322,0.11273223791723501,0.946371278030198],"properties":{"magmom":0.044},"label":"S","xyz":[6.319205301859484,0.46323712804441947,9.986377358393595]}]} | false | -18.322342 | -18.322342 | -1.819851 | 0 | true | -0.031424 | 1.2773 | 3.8292 | 2.5519 | 2.558004 | false | false | true | FM | 10.000274 | 0.030362 | 5.000137 | 4 | 2 | [
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mp-3249647 | Li4ErUS6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.515215443011769,-0.004590716176405001,-1.162139308667932],[-3.562474851012952,5.455132021402953,-1.161946485481092],[0.028440237890303,0.051712894451507,6.484706847343743]],"pbc":[true,true,true],"a":6.618052667989673,"b":6.618142645044566,"c":6.4849754021561745,"alpha":99.86634138576507,"beta":99.86237997745442,"gamma":119.97792193863074,"volume":231.15528217827378},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49957902365854706,0.5004002904147741,0.9999921248228881],"properties":{"magmom":-0.0},"label":"Li","xyz":[1.5006415338210901,2.7791687094589737,5.322636999168092]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.004644023406754,0.9954859389445541,0.5000334470976641],"properties":{"magmom":-0.0},"label":"Li","xyz":[-3.5019157388210314,5.45634407987143,2.0804719280412853]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.665384459007334,0.334427973659629,0.49997668460738204],"properties":{"magmom":-0.0},"label":"Li","xyz":[3.157951313076803,1.847149398283368,2.0803453863561754]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33098514837276805,0.668986241998318,0.49997128053450907],"properties":{"magmom":-0.0},"label":"Li","xyz":[-0.21258781055015158,3.673743773787331,2.0801901221229198]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8337256852392441,0.166255595156684,0.999957491900858],"properties":{"magmom":-0.002},"label":"Er","xyz":[4.868060112070266,0.9548295191213833,5.32234569883566]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16678187445140202,0.833309491263939,5.8074416102999975e-6],"properties":{"magmom":1.306},"label":"U","xyz":[-1.8820240965329347,4.545047941603558,-1.162047147409089]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.926251180873045,0.589646574195668,0.24389923152557402],"properties":{"magmom":-0.039},"label":"S","xyz":[3.94106145833979,3.224960487142578,-0.17995565481951184]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.574556217672046,0.9201194894430741,0.24767615030280102],"properties":{"magmom":-0.04},"label":"S","xyz":[0.47249896982188283,5.029543716473893,-0.13073674478497818]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24480153773825403,0.236971016292038,0.250281749973616],"properties":{"magmom":-0.039},"label":"S","xyz":[0.757849545694786,1.3045271584593177,1.063162648449685]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.763041819650062,0.7551864862788871,0.7497301656962561],"properties":{"magmom":-0.039},"label":"S","xyz":[2.30237148612045,4.154909791931758,3.097533162763259]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.079918117717412,0.425468709672763,0.752328085375353],"properties":{"magmom":-0.04},"label":"S","xyz":[-0.973641433653603,2.3595261637170126,4.291379228721962]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.410334912213137,0.07374819267964401,0.7561487807214881],"properties":{"magmom":-0.039},"label":"S","xyz":[2.432199326333201,0.4395250383751664,4.34084539145887]}]} | false | -16.091696 | -16.091696 | -1.790153 | 0 | true | -0.037065 | 1.416 | 4.8315 | 3.4155 | 3.521589 | false | false | true | FM | 1.000002 | 0.004326 | 1.000002 | 1 | 1 | [
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mp-3249648 | LaNp(AsPt)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.356074189573179,1.258283e-9,0.0],[-2.178037592617647,3.772470608135345,0.0],[0.0,0.0,15.923307443937436]],"pbc":[true,true,true],"a":4.356074189573179,"b":4.356074177984201,"c":15.923307443937436,"alpha":90.0,"beta":90.0,"gamma":120.00000763244691,"volume":261.6702884097503},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.014},"label":"La","xyz":[0.0,0.0,3.980826860984359]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.014},"label":"La","xyz":[0.0,0.0,11.942480582953078]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-3.899},"label":"Np","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-3.899},"label":"Np","xyz":[0.0,0.0,7.961653721968718]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6177850600593681],"properties":{"magmom":0.026000000000000002},"label":"As","xyz":[-2.509924610533476e-6,2.5149816633331783,9.837181445596672]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.38221493994063105],"properties":{"magmom":0.026000000000000002},"label":"As","xyz":[2.17803910688014,1.2574889460604461,6.0861259983407505]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.11778506005936801],"properties":{"magmom":0.026000000000000002},"label":"As","xyz":[2.17803910688014,1.2574889460604461,1.8755277236279526]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.882214939940631],"properties":{"magmom":0.026000000000000002},"label":"As","xyz":[-2.509924610533476e-6,2.5149816633331783,14.047779720309467]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.124955963792857],"properties":{"magmom":0.018000000000000002},"label":"Pt","xyz":[-2.509924610533476e-6,2.5149816633331783,1.9897122284271767]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8750440362071431],"properties":{"magmom":0.018000000000000002},"label":"Pt","xyz":[2.17803910688014,1.2574889460604461,13.93359521551026]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.624955963792857],"properties":{"magmom":0.018000000000000002},"label":"Pt","xyz":[2.17803910688014,1.2574889460604461,9.951365950395894]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.37504403620714305],"properties":{"magmom":0.018000000000000002},"label":"Pt","xyz":[-2.509924610533476e-6,2.5149816633331783,5.971941493541542]}]} | false | -42.213007 | -42.213007 | -1.353092 | 0 | true | -0.103559 | 0 | null | null | 9.464485 | false | true | true | FM | 8.011672 | 0.030617 | 4.005836 | 2 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249649 | Th(TaSn)6 | 191 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.776730503653253,3.6621143e-9,0.0],[-2.888365745475883,5.002796059758478,0.0],[0.0,0.0,9.600736073795783]],"pbc":[true,true,true],"a":5.776730503653253,"b":5.776731350441477,"c":9.600736073795783,"alpha":90.0,"beta":90.0,"gamma":120.00000076829248,"volume":277.4593966692686},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7517177215726251],"properties":{"magmom":-0.0},"label":"Ta","xyz":[2.8883652518266265,1.83105715e-9,7.217043446813876]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.24828227842737502],"properties":{"magmom":-0.0},"label":"Ta","xyz":[-1.4441828727379415,2.501398029879239,2.383692626981908]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.24828227842737502],"properties":{"magmom":-0.0},"label":"Ta","xyz":[2.8883652518266265,1.83105715e-9,2.383692626981908]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.24828227842737502],"properties":{"magmom":-0.0},"label":"Ta","xyz":[1.444182379088685,2.501398031710296,2.383692626981908]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.7517177215726251],"properties":{"magmom":-0.0},"label":"Ta","xyz":[1.444182379088685,2.501398031710296,7.217043446813876]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.7517177215726251],"properties":{"magmom":-0.0},"label":"Ta","xyz":[-1.4441828727379415,2.501398029879239,7.217043446813876]},{"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":[-3.217464891731373e-6,3.335199041991689,4.800368036897892]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.8883679756422587,1.6675970214288989,4.800368036897892]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-3.217464891731373e-6,3.335199041991689,0.0]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.8883679756422587,1.6675970214288989,0.0]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.34453267649936903],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,3.307767295868905]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6554673235006301],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,6.29296877792687]}]} | false | -39.7201 | -39.7201 | -0.219842 | 0 | true | -0.037094 | 0 | null | null | 8.186429 | 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-3249650 | Tb4Pa(MnB3)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.129000352477795,6.3790401000000024e-9,1.757842527776771],[2.263269189535309,4.602635867390216,1.757842528365154],[0.12170273117952,0.07577539433994,8.006470834609823]],"pbc":[true,true,true],"a":5.421868217522257,"b":5.421868193401228,"c":8.007754285105259,"alpha":70.21213577513976,"beta":70.21213480478993,"gamma":60.00001927611945,"volume":187.64174400503012},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.253220172933097,0.253220172933147,0.24033948120036502],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.9011217430690905,1.1836920708675713,2.8145134245306296]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.746779827066902,0.7467798270668521,0.759660518799634],"properties":{"magmom":0.0},"label":"Tb","xyz":[5.612850530123526,3.4947191972416203,8.707642466221108]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41375235362925605,0.413752353629227,0.7587429391124161],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.1509100096228764,1.961845471084232,7.5294761795675695]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.586247646370743,0.5862476463707721,0.24125706088758303],"properties":{"magmom":0.0},"label":"Tb","xyz":[4.3630622635697405,2.71656579702496,3.9926797111841683]},{"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":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.107917390073531,0.107917390073666,0.676247829778539],"properties":{"magmom":0.003},"label":"Mn","xyz":[0.8800556435326874,0.5479473969296028,5.793762081669651]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.892082609926468,0.892082609926333,0.32375217022146],"properties":{"magmom":0.003},"label":"Mn","xyz":[6.633916629659929,4.130463871179589,5.728393809082087]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.165866830441039,0.8341331695589531,0.500000000000014],"properties":{"magmom":-0.0},"label":"B","xyz":[2.7994503000184356,3.8770989426199645,5.761077945572571]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8341331695594071,0.5000000000004611,0.499999999999907],"properties":{"magmom":-0.0},"label":"B","xyz":[5.4707552810420665,2.3392056361881624,6.348431440768313]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999999999552,0.165866830440585,0.500000000000078],"properties":{"magmom":-0.0},"label":"B","xyz":[3.0007528287284226,0.8013123233556637,5.173724449786727]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.165866830440592,0.49999999999953804,0.500000000000092],"properties":{"magmom":-0.0},"label":"B","xyz":[2.043216992150551,2.33920563192103,5.173724449983425]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5000000000004471,0.8341331695594151,0.49999999999992106],"properties":{"magmom":-0.0},"label":"B","xyz":[4.513219444464196,3.8770989447535325,6.348431440965013]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8341331695589601,0.16586683044104603,0.499999999999985],"properties":{"magmom":-0.0},"label":"B","xyz":[4.714521973174182,0.8013123254892276,5.761077945179167]}]} | false | -21.702317 | -21.702317 | -0.532582 | 0 | true | -0.042365 | 0 | null | null | 6.535079 | false | true | false | NM | 0.008353 | 0.000045 | 0.008353 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249651 | TbDy4(FeB3)2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.072676827563825,-7.14216e-9,1.8146837533040672],[2.211750170568279,4.565107677025842,1.814683754886147],[-0.12185486737838601,-0.076365791997239,8.337923004533382]],"pbc":[true,true,true],"a":5.387497315211278,"b":5.387497011609081,"c":8.339163049876058,"alpha":71.15410580867956,"beta":71.15410662466066,"gamma":59.999981558630516,"volume":194.48985722339023},"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":0.15},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25089506345558,0.25089506345548,0.24731680963372302],"properties":{"magmom":0.122},"label":"Dy","xyz":[1.7974900168953103,1.1264764344746552,2.972698907723645]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749104936544419,0.749104936544519,0.7526831903662761],"properties":{"magmom":0.122},"label":"Dy","xyz":[5.365082113858401,3.362265443411783,8.99459160499994]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.416365419421772,0.41636541942190003,0.750903741734106],"properties":{"magmom":0.11},"label":"Dy","xyz":[2.9414822264618934,1.843409610726037,7.772120707178598]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.583634580578227,0.583634580578099,0.24909625826589302],"properties":{"magmom":0.11},"label":"Dy","xyz":[4.221089904291818,2.645332267160402,4.195169805544986]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11746280584203801,0.117462805842379,0.647613582472367],"properties":{"magmom":-1.347},"label":"Fe","xyz":[0.7767343669482336,0.48677483174343056,5.826067878289193]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8825371941579611,0.8825371941576201,0.352386417527633],"properties":{"magmom":-1.347},"label":"Fe","xyz":[6.385837763805477,4.001967046143008,6.1412226344344]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16698895966524602,0.8330110403348311,0.49999999999995004],"properties":{"magmom":0.009000000000000001},"label":"B","xyz":[2.628565903009519,3.764602198088543,5.983645256888371]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.833011040334476,0.49999999999974404,0.5000000000001701],"properties":{"magmom":0.009000000000000001},"label":"B","xyz":[5.27054345300389,2.2443709365636217,6.587954980928611]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000000000284,0.166988959665424,0.49999999999987904],"properties":{"magmom":0.009000000000000001},"label":"B","xyz":[2.844748840117196,0.7241396821774956,5.379335531268414]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16698895966552302,0.500000000000255,0.499999999999829],"properties":{"magmom":0.009000000000000001},"label":"B","xyz":[1.8920286777498203,2.244370941322817,5.3793355317949745]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49999999999971506,0.8330110403345751,0.50000000000012],"properties":{"magmom":0.009000000000000001},"label":"B","xyz":[4.3178232906365155,3.7646021957089433,6.58795498145517]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.833011040334753,0.16698895966516802,0.5000000000000491],"properties":{"magmom":0.009000000000000001},"label":"B","xyz":[4.534006227744193,0.7241396797978958,5.983645255835214]}]} | false | -18.316332 | -18.316332 | -0.465675 | 0 | true | -0.01359 | 0 | null | null | 5.213846 | false | true | true | FiM | 1.882196 | 0.009678 | 1.882196 | 7 | 4 | [
"B3-",
"Fe2+",
"Tb2+",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249652 | PrEr2Al7Cu2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.214653990189497,-0.007960103547588,7.375119595067638],[2.338156548712939,4.661084911873153,7.375120580856004],[-0.012920379818008,-0.007960099300715,9.032432631410794]],"pbc":[true,true,true],"a":9.032445330152758,"b":9.032446633340635,"c":9.032445379871945,"alpha":35.34455844038298,"beta":35.344556838104324,"gamma":35.34455345042983,"volume":220.32370233043716},"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":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.857831257181445,0.8578312571811461,0.857831257181473],"properties":{"magmom":-0.0},"label":"Er","xyz":[6.467953454176701,3.984767482156274,20.401520113448715]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14216874281855502,0.142168742818853,0.142168742818526],"properties":{"magmom":-0.0},"label":"Er","xyz":[1.071936704907725,0.6603972268685709,3.381152693885707]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41737216865090604,0.417372168650032,0.9263315120901431],"properties":{"magmom":0.0},"label":"Al","xyz":[3.14036435905549,1.9347111014284795,14.523366707647636]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.926331512089923,0.41737216865019605,0.41737216865097704],"properties":{"magmom":0.0},"label":"Al","xyz":[5.800987178193528,1.9347110992677596,13.679861752797363]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.417372168650935,0.9263315120893121,0.41737216865083504],"properties":{"magmom":0.0},"label":"Al","xyz":[4.336966928975992,4.311065184803978,13.679862254523226]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Al","xyz":[3.769945079542214,2.322582354512425,11.891336403667218]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.582627831349064,0.073668487910687,0.5826278313491641],"properties":{"magmom":0.0},"label":"Al","xyz":[3.202923230108429,0.3340995242208682,10.102810552811189]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.073668487910076,0.582627831349803,0.5826278313490221],"properties":{"magmom":0.0},"label":"Al","xyz":[1.7389029808908927,2.7104536097570855,10.10281105453705]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.582627831349093,0.5826278313499671,0.073668487909856],"properties":{"magmom":0.0},"label":"Al","xyz":[4.399525800028931,2.710453607596366,9.259306099686777]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.664772725447718,0.6647727254477751,0.664772725447718],"properties":{"magmom":-0.0},"label":"Cu","xyz":[5.012313330631117,3.0879788037722715,15.810072220563464]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.335227274552281,0.335227274552224,0.335227274552281],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.527576828453304,1.557185905252574,7.972600586770948]}]} | false | -14.383926 | -14.383926 | -0.544501 | 0 | true | -0.01612 | 0 | null | null | 6.21655 | false | true | false | NM | 0.000028 | 0 | 0.000028 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249653 | LaLu(ZnSi)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.158131629253156,-6.7692692000000015e-9,0.0],[-2.079065326372677,3.601048147477488,0.0],[0.0,0.0,16.29565810640122]],"pbc":[true,true,true],"a":4.158131629253156,"b":4.158131839152791,"c":16.29565810640122,"alpha":90.0,"beta":90.0,"gamma":119.99999065489234,"volume":244.00519072083804},"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":[0.0,0.0,8.14782905320061]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":0.0},"label":"Lu","xyz":[0.0,0.0,4.073914526600305]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":0.0},"label":"Lu","xyz":[0.0,0.0,12.221743579800915]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.152312542752284],"properties":{"magmom":0.0},"label":"Zn","xyz":[-1.7535630299773952e-6,2.4006999630779395,2.4820331220078393]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8476874572477151],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.0790680564435076,1.200348177630276,13.813624984393366]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.652312542752284],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.0790680564435076,1.200348177630276,10.62986217520845]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.34768745724771505],"properties":{"magmom":0.0},"label":"Zn","xyz":[-1.7535630299773952e-6,2.4006999630779395,5.665795931192755]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.626071490784418],"properties":{"magmom":-0.0},"label":"Si","xyz":[-1.7535630299773952e-6,2.4006999630779395,10.202246963987799]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.373928509215581],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0790680564435076,1.200348177630276,6.093411142413406]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.126071490784418],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0790680564435076,1.200348177630276,2.054417910787188]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8739285092155811],"properties":{"magmom":-0.0},"label":"Si","xyz":[-1.7535630299773952e-6,2.4006999630779395,14.241240195614017]}]} | false | -17.897875 | -17.897875 | -0.698976 | 0 | true | -0.029305 | 0 | null | null | 5.911641 | false | true | false | NM | 0.000106 | 0 | 0.000053 | 0 | 0 | [
"Lu3+",
"Zn2+",
"Si4-",
"La+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249654 | NdY(ZnSi)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.139525720906981,1.15410862e-8,0.0],[-2.069763840470246,3.584934078373964,0.0],[0.0,0.0,16.483074530727166]],"pbc":[true,true,true],"a":4.139525720906981,"b":4.139525902999656,"c":16.483074530727166,"alpha":90.0,"beta":90.0,"gamma":120.00001404812036,"volume":244.607620283798},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,8.241537265363583]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.0},"label":"Y","xyz":[0.0,0.0,4.120768632681791]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.0},"label":"Y","xyz":[0.0,0.0,12.362305898045374]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.138440557708499],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.7231076698876677e-6,2.389957251074346,2.281926030784624]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.861559442291508],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.0697646035444035,1.1949768388407007,14.201148499942658]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6384405577084921],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.0697646035444035,1.1949768388407007,10.523463296148092]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.36155944229150005],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.7231076698876677e-6,2.389957251074346,5.959611234578943]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.623380245594091],"properties":{"magmom":-0.0},"label":"Si","xyz":[-2.7231076698876677e-6,2.389957251074346,10.275223049110407]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.376619754405908],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0697646035444035,1.1949768388407007,6.207851481616743]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.12338024559409101],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0697646035444035,1.1949768388407007,2.033685783746824]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8766197544059081],"properties":{"magmom":-0.0},"label":"Si","xyz":[-2.7231076698876677e-6,2.389957251074346,14.449388746980327]}]} | false | -14.912916 | -14.912916 | -0.729525 | 0 | true | -0.051178 | 0 | null | null | 4.64814 | false | true | false | NM | 0.000062 | 0 | 0.000031 | 0 | 0 | [
"Nd3+",
"Y+",
"Zn2+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249655 | Zr3Pa(NiP)4 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.760423087646557,4.7799247e-9,0.0],[-1.880212035625927,3.256621221571746,0.0],[0.0,0.0,14.915115550829277]],"pbc":[true,true,true],"a":3.760423087646557,"b":3.7604227261976866,"c":14.915115550829277,"alpha":90.0,"beta":90.0,"gamma":120.00001175936062,"volume":182.6545863823995},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.506504265764668],"properties":{"magmom":-0.0},"label":"Zr","xyz":[0.0,0.0,7.554569650867965]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9934957342353311],"properties":{"magmom":-0.0},"label":"Zr","xyz":[0.0,0.0,14.818103675375937]},{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.0},"label":"Zr","xyz":[0.0,0.0,11.186336663121958]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":0.0},"label":"Pa","xyz":[0.0,0.0,3.7287788877073194]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.38202448588246],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-2.2080801211713512e-6,2.1710819015148646,5.697939350183039]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.62763408584118],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.8802132601007495,1.0855393248368028,9.3612349139603]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.87236591415882],"properties":{"magmom":-0.0},"label":"Ni","xyz":[1.8802132601007495,1.0855393248368028,13.011438412283615]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.117975514117546],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-2.2080801211713512e-6,2.1710819015148646,1.7596184252316893]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8715988227939491],"properties":{"magmom":0.0},"label":"P","xyz":[-2.2080801211713512e-6,2.1710819015148646,12.999997155938521]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.115430375143347],"properties":{"magmom":0.0},"label":"P","xyz":[1.8802132601007495,1.0855393248368028,1.7216573833385922]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.384569624856652],"properties":{"magmom":0.0},"label":"P","xyz":[1.8802132601007495,1.0855393248368028,5.735900392076032]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.62840117720605],"properties":{"magmom":0.0},"label":"P","xyz":[-2.2080801211713512e-6,2.1710819015148646,9.37267617030538]}]} | false | -20.301682 | -20.301682 | -1.214968 | 0 | true | -0.032537 | 0 | null | null | 10.391389 | false | true | false | NM | 0.000161 | 0.000001 | 0.000161 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249656 | TbNb6Sn5Bi | 183 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.812826657850272,0.0,0.0],[-2.906413328925136,5.034055944724692,0.0],[0.0,0.0,9.622812784419764]],"pbc":[true,true,true],"a":5.812826657850272,"b":5.812826996666226,"c":9.622812784419764,"alpha":90.0,"beta":90.0,"gamma":119.99999807186049,"volume":281.583657944623},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9929678467865911],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,9.555143690575775]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.754739843749888],"properties":{"magmom":-0.0},"label":"Nb","xyz":[-1.453206664462568,2.517027972362346,7.262720217347398]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.754739843749888],"properties":{"magmom":-0.0},"label":"Nb","xyz":[1.453206664462568,2.517027972362346,7.262720217347398]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.754739843749888],"properties":{"magmom":-0.0},"label":"Nb","xyz":[2.906413328925136,0.0,7.262720217347398]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.252003718351446],"properties":{"magmom":0.0},"label":"Nb","xyz":[-1.453206664462568,2.517027972362346,2.4249846026736126]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.252003718351446],"properties":{"magmom":0.0},"label":"Nb","xyz":[1.453206664462568,2.517027972362346,2.4249846026736126]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.252003718351446],"properties":{"magmom":0.0},"label":"Nb","xyz":[2.906413328925136,0.0,2.4249846026736126]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.501864563268661],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.9064162353384333,1.678016970222931,4.829348735468913]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.501864563268661],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-2.9064132995535423e-6,3.356038974501756,4.829348735468913]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.002880775646168],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.9064162353384333,1.678016970222931,0.02772116471699054]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.002880775646168],"properties":{"magmom":0.0},"label":"Sn","xyz":[-2.9064132995535423e-6,3.356038974501756,0.02772116471699054]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.323889362600624],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,3.1167266991708535]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.653421426479113],"properties":{"magmom":0.0},"label":"Bi","xyz":[0.0,0.0,6.287752056337008]}]} | false | -28.185852 | -28.185852 | -0.350154 | 0 | true | -0.001537 | 0 | null | null | 7.231526 | false | true | false | NM | 0.000031 | 0 | 0.000031 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249657 | Na4NdUTe6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.706172452070402,0.005331201492095,1.253151279320387],[-4.158486226835844,6.48717354646529,1.25267746406476],[0.0451740362529,0.08320712297270101,7.872351088021798]],"pbc":[true,true,true],"a":7.807401002357982,"b":7.806768162928766,"c":7.87292040934892,"alpha":80.43451791020289,"beta":80.43495162665495,"gamma":119.96347923627908,"volume":392.11964631558686},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.337807918472158,0.662231426777367,0.499994834417385],"properties":{"magmom":-0.001},"label":"Na","xyz":[-0.12808740703390856,4.3394142471801835,5.189021688248381]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6599245171880661,0.340075125771086,0.500018474692979],"properties":{"magmom":-0.002},"label":"Na","xyz":[3.6938822608949073,2.2512496489961498,5.189310682391815]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0014040293340320002,0.9986245607907801,0.500009537086405],"properties":{"magmom":-0.001},"label":"Na","xyz":[-4.119359340697501,6.51986267381562,5.188964566823761]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5001115428222881,0.499892441922938,0.000010335492518700001],"properties":{"magmom":-0.001},"label":"Na","xyz":[1.7751504265195825,3.245556080710325,1.253000780769584]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16748520496101002,0.832540657286706,8.9974422366e-6],"properties":{"magmom":-0.001},"label":"Nd","xyz":[-2.1714385775569456,5.401729374333018,1.2528600491890272]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8328476337981101,0.16712420512609302,1.9160895945e-6],"properties":{"magmom":1.741},"label":"U","xyz":[5.723083873716769,1.0886039604483242,1.2530518873642555]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7631810930347951,0.7772524865861641,0.236497816351096],"properties":{"magmom":-0.074},"label":"Te","xyz":[2.659694915772817,5.065918744975958,3.7918218787908]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43541459361208,0.07871793675850801,0.23700455039985202],"properties":{"magmom":-0.077},"label":"Te","xyz":[3.038738942859515,0.5326986666734758,2.5100315706211944]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06318032677634,0.405368463189169,0.23513890730679002],"properties":{"magmom":-0.079},"label":"Te","xyz":[-1.1882185037259907,2.6495976300003896,2.438066478580153]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5946864954041471,0.9367425701658261,0.7648370807618861],"properties":{"magmom":-0.079},"label":"Te","xyz":[0.7218763903902325,6.143621907592316,7.939734474682346]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9213014461222351,0.564612156889417,0.7629864525013441],"properties":{"magmom":-0.077},"label":"Te","xyz":[4.78624312389684,3.7311345994097564,7.868304240215019]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22265619847473,0.23681696873592903,0.7634910974579291],"properties":{"magmom":-0.074},"label":"Te","xyz":[0.7655169347146396,1.6009876976300936,6.586147151578734]}]} | false | -24.269272 | -24.269272 | -1.259263 | 0 | true | -0.057634 | 0.852 | 3.6623 | 2.8103 | 2.874119 | false | false | true | FM | 1.000005 | 0.00255 | 1.000005 | 1 | 1 | [
"U5+",
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"Nd3+",
"Te2-"
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mp-3249658 | HfU(NiP)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.820042702746956,0.0,0.0],[-1.910021351373478,3.308253145856442,0.0],[0.0,0.0,14.834783704524094]],"pbc":[true,true,true],"a":3.820042702746956,"b":3.820041942148229,"c":14.834783704524094,"alpha":90.0,"beta":90.0,"gamma":120.00000658642094,"volume":187.47707559192128},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Hf","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.026000000000000002},"label":"Hf","xyz":[0.0,0.0,3.7086959261310235]},{"species":[{"element":"Hf","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.026000000000000002},"label":"Hf","xyz":[0.0,0.0,11.126087778393071]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":2.206},"label":"U","xyz":[0.0,0.0,7.417391852262047]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.206},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.34329993911939705],"properties":{"magmom":0.017},"label":"Ni","xyz":[-1.910021332238831e-6,2.2055031999886636,5.092780342612545]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6567000608806021],"properties":{"magmom":0.017},"label":"Ni","xyz":[1.9100232613948083,1.1027499458677754,9.742003361911536]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.843299939119397],"properties":{"magmom":0.017},"label":"Ni","xyz":[1.9100232613948083,1.1027499458677754,12.510172194874592]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.156700060880602],"properties":{"magmom":0.017},"label":"Ni","xyz":[-1.910021332238831e-6,2.2055031999886636,2.3246115096494884]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8756238412920041],"properties":{"magmom":-0.031},"label":"P","xyz":[-1.910021332238831e-6,2.2055031999886636,12.989690292091414]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.12437615870799501],"properties":{"magmom":-0.031},"label":"P","xyz":[1.9100232613948083,1.1027499458677754,1.8450934124326668]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.37562384129200405],"properties":{"magmom":-0.031},"label":"P","xyz":[1.9100232613948083,1.1027499458677754,5.572298439829366]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.624376158707995],"properties":{"magmom":-0.031},"label":"P","xyz":[-1.910021332238831e-6,2.2055031999886636,9.262485264694714]}]} | false | -28.932634 | -28.932634 | -1.089127 | 0 | true | -0.065381 | 0 | null | null | 9.299228 | false | true | true | FM | 4.630662 | 0.0247 | 2.315331 | 2 | 1 | [
"Ni+",
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] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249659 | ErNb6Sn5Bi | 183 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.804299529849052,-2.8653298000000004e-9,0.0],[-2.902149269885858,5.02667061676869,0.0],[0.0,0.0,9.611580764792741]],"pbc":[true,true,true],"a":5.804299529849052,"b":5.804299085521415,"c":9.611580764792741,"alpha":90.0,"beta":90.0,"gamma":119.99999691795979,"volume":280.430382026991},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9914029563564811],"properties":{"magmom":0.0},"label":"Er","xyz":[0.0,0.0,9.528949585474612]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.755416185653878],"properties":{"magmom":0.0},"label":"Nb","xyz":[-1.451074634942929,2.513335308384345,7.260743679443916]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.755416185653878],"properties":{"magmom":0.0},"label":"Nb","xyz":[1.451075129981597,2.5133353069516797,7.260743679443916]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.755416185653878],"properties":{"magmom":0.0},"label":"Nb","xyz":[2.902149764924526,-1.4326649000000002e-9,7.260743679443916]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.25198131762707704],"properties":{"magmom":0.0},"label":"Nb","xyz":[-1.451074634942929,2.513335308384345,2.4219387855915437]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.25198131762707704],"properties":{"magmom":0.0},"label":"Nb","xyz":[1.451075129981597,2.5133353069516797,2.4219387855915437]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.25198131762707704],"properties":{"magmom":0.0},"label":"Nb","xyz":[2.902149764924526,-1.4326649000000002e-9,2.4219387855915437]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5021538524929591],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.9021528320869834,1.675555194789152,4.826492309587897]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5021538524929591],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-2.5721237921839512e-6,3.351115419114203,4.826492309587897]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0031254417688580003],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.9021528320869834,1.675555194789152,0.030040435987035357]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0031254417688580003],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-2.5721237921839512e-6,3.351115419114203,0.030040435987035357]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.32225116683605304],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,3.0973431165934238]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6535917784409621],"properties":{"magmom":0.0},"label":"Bi","xyz":[0.0,0.0,6.28205016568983]}]} | false | -28.375989 | -28.375989 | -0.332676 | 0 | true | -0.022671 | 0 | null | null | 7.221441 | false | true | false | NM | 0.000216 | 0.000001 | 0.000216 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249660 | NdEr2Ni9 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.739350317786119,0.005471567915036,7.030124367324929],[2.152419329946942,4.222388003045644,7.030124367609114],[0.008919121340929,0.005471579030638001,8.478442946902902]],"pbc":[true,true,true],"a":8.478450329677623,"b":8.478450214764752,"c":8.47844940379962,"alpha":33.92555217129144,"beta":33.92555338661493,"gamma":33.92554467753423,"volume":169.2015375996129},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.073},"label":"Nd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8601092653796051,0.8601092653797331,0.8601092653813891],"properties":{"magmom":-0.124},"label":"Er","xyz":[5.935346347781813,3.6411273455281816,19.385737545098216]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.139890734620394,0.13989073462026602,0.13989073461861],"properties":{"magmom":-0.124},"label":"Er","xyz":[0.9653424212921715,0.5922038044631327,3.1529541367387086]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.415847735076845,0.9191803501047381,0.41584773508168305],"properties":{"magmom":0.278},"label":"Ni","xyz":[3.9530186450684632,3.885686765789539,12.911154769448247]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.584152264922657,0.584152264922437,0.08081964989144501],"properties":{"magmom":0.278},"label":"Ni","xyz":[4.0265636893121295,2.4701559552522947,8.898550934479381]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666336677461541,0.6666336677459831,0.666633667743688],"properties":{"magmom":0.358},"label":"Ni","xyz":[4.600231464102097,2.8220810713020215,15.025050702040586]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9191803501043331,0.41584773507715,0.41584773508176903],"properties":{"magmom":0.278},"label":"Ni","xyz":[5.255105384072984,1.7631751891424354,12.911154769305234]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08081964989566601,0.584152264922849,0.58415226491823],"properties":{"magmom":0.278},"label":"Ni","xyz":[1.6455833850009989,2.4701559608488783,9.62753691253169]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33336633225384504,0.333366332254016,0.333366332256311],"properties":{"magmom":0.358},"label":"Ni","xyz":[2.300457304971887,1.411250078689293,7.513640979796338]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.165},"label":"Ni","xyz":[3.450344384536995,2.116665574995659,11.269345840918472]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.415847735077342,0.415847735077562,0.919180350108554],"properties":{"magmom":0.278},"label":"Ni","xyz":[2.874125079761854,1.7631751947390193,13.640140747357542]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5841522649231551,0.08081964989526101,0.5841522649183161],"properties":{"magmom":0.278},"label":"Ni","xyz":[2.9476701240055254,0.3476443842017752,9.627536912388685]}]} | false | -17.459919 | -17.459919 | -0.367891 | 0 | true | -0.00835 | 0 | null | null | 6.375555 | false | true | true | FiM | 1.907185 | 0.011272 | 1.907185 | 12 | 5 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249661 | K4ErUSe6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.367472761824472,0.0022978135620860003,1.149950289818098],[-3.95623518376833,6.215131416397787,1.149951279169343],[0.029748313296237002,0.054219498536838,7.991525863619104]],"pbc":[true,true,true],"a":7.456677936267961,"b":7.4566777653888465,"c":7.991765158277527,"alpha":80.91538735931826,"beta":80.91539089655178,"gamma":120.01161939083082,"volume":365.0845449188679},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5000787914949001,0.49992120850509203,0.0],"properties":{"magmom":-0.0},"label":"K","xyz":[1.7065110009049478,3.1082250965327547,1.1499507844157588]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.655731774061109,0.34426822593889705,0.500000000000014],"properties":{"magmom":-0.001},"label":"K","xyz":[3.4839540729932095,2.1682887653323184,5.145713562229967]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34477225856625804,0.6552277414337411,0.499999999999978],"properties":{"magmom":-0.002},"label":"K","xyz":[-0.03726066337349625,4.100228492320193,5.145713869877855]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9994556881118791,0.0005443118881200001,0.500000000000007],"properties":{"magmom":-0.001},"label":"K","xyz":[7.376183289620199,0.032789282019440265,5.14571322216622]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8324634569762921,0.167536543023715,0.0],"properties":{"magmom":-0.005},"label":"Er","xyz":[5.470337878409732,1.0431744777627519,1.1499504555705935]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.167675587661428,0.832324412338557,0.9999999999999921],"properties":{"magmom":1.451},"label":"U","xyz":[-2.0277774861883793,5.227610389536388,9.141476976898316]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8054989887889691,0.797382842110359,0.20597346055047402],"properties":{"magmom":-0.049},"label":"Se","xyz":[2.785985167724862,4.968857817140279,3.489277452086796]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.202617157889655,0.194501011210952,0.794026539449561],"properties":{"magmom":-0.049},"label":"Se","xyz":[0.7469055982601074,1.2523666425455322,6.802149972490235]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42042857057303,0.051802487791555,0.208011675301065],"properties":{"magmom":-0.052000000000000005},"label":"Se","xyz":[2.898741213668048,0.33420362451683877,2.205372976781518]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5625088762593641,0.9394286625913181,0.791280972270321],"properties":{"magmom":-0.051000000000000004},"label":"Se","xyz":[0.45120737080960654,5.882867992378758,8.050696792802881]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.948197512208473,0.579571429426962,0.7919883246989771],"properties":{"magmom":-0.052000000000000005},"label":"Se","xyz":[4.7164587802299085,3.6472325899933824,8.086054091124714]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.060571337408660005,0.437491123740727,0.20871902772960002],"properties":{"magmom":-0.051000000000000004},"label":"Se","xyz":[-1.27835105879604,2.7305206502153307,2.240731012709172]}]} | false | -20.353199 | -20.353199 | -1.702375 | 0 | true | -0.093052 | 1.322 | 2.4106 | 1.0886 | 1.149256 | false | false | true | FM | 1 | 0.002739 | 1 | 1 | 1 | [
"U5+",
"K+",
"Er3+",
"Se2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249662 | BaHoCuSe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.331093271838548,-0.006118830034044001,0.0],[-6.145579510696958,3.9970991420832243,0.0],[0.0,0.0,10.606343574370259]],"pbc":[true,true,true],"a":7.331095825350902,"b":7.331094670916528,"c":10.606343574370259,"alpha":90.0,"beta":90.0,"gamma":147.00775226701657,"volume":310.3999783256044},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25294852761826503,0.7470514723816061,0.25],"properties":{"magmom":-0.0},"label":"Ba","xyz":[-2.736674973160663,2.984491050300669,2.6515858935925647]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7470514723817341,0.25294852761839304,0.75],"properties":{"magmom":-0.0},"label":"Ba","xyz":[3.922188734302252,1.0064892617485075,7.9547576807776945]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.0,0.0,5.303171787185129]},{"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":[0.532014333299727,0.46798566669976704,0.25],"properties":{"magmom":0.0},"label":"Cu","xyz":[1.0242035748053555,1.8673298015917483,2.6515858935925647]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46798566670027203,0.5320143333002321,0.75],"properties":{"magmom":0.0},"label":"Cu","xyz":[0.16131018633623292,2.1236505104574284,7.9547576807776945]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.632477031494033,0.36752296850759303,0.43888306908898006],"properties":{"magmom":0.0},"label":"Se","xyz":[2.378106485207536,1.4651557226614313,4.654944619731802]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36752296850596605,0.6324770314924061,0.561116930911019],"properties":{"magmom":0.0},"label":"Se","xyz":[-1.1925927240659473,2.5258245893877453,5.951398954638447]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.632477031494033,0.36752296850759303,0.061116930911019],"properties":{"magmom":0.0},"label":"Se","xyz":[2.378106485207536,1.4651557226614313,0.6482271674533174]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36752296850596605,0.6324770314924061,0.9388830690889801],"properties":{"magmom":0.0},"label":"Se","xyz":[-1.1925927240659473,2.5258245893877453,9.958116406916933]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9325642809248291,0.067435719073678,0.25],"properties":{"magmom":-0.0},"label":"Se","xyz":[6.422284152016657,0.2638410525243642,2.6515858935925647]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06743571907517,0.932564280926321,0.75],"properties":{"magmom":-0.0},"label":"Se","xyz":[-5.236770390875067,3.727139259524812,7.9547576807776945]}]} | false | -20.676048 | -20.676048 | -1.815647 | 0 | true | -0.093259 | 1.2158 | 4.3946 | 3.1788 | 3.317493 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Cu+",
"Ho3+",
"Se2-",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249663 | Nd3Bi(OF)4 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.727265124103706,0.0000279158354345,-0.045244420985162],[0.0000266291754522,5.647631534466535,-0.0000183614528246],[0.041192993146703,-0.0000182204277077,5.647353828083013]],"pbc":[true,true,true],"a":5.7274438330012645,"b":5.647631534559163,"c":5.647504061315956,"alpha":90.000369155487,"beta":90.03469738365389,"gamma":89.99944911891852,"volume":182.67691371015565},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7252531831266751,0.000011327375780500001,0.25010307148932703],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.164019756278072,0.00007966190823567083,1.3796068776443713]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27683401022324,9.277686671999999e-7,0.7498566012592881],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.6163906097787208,-6.949597407531185e-7,4.2221803531163715]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7252602439659691,0.49999793581696306,0.7501175951337941],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.184670604653567,2.8238106882702585,4.203356311900947]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.312791510632969,0.500003406076416,0.24989580690276303],"properties":{"magmom":0.0},"label":"Bi","xyz":[1.8017471809034793,2.8238391821256954,1.3970887901575966]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500316761758803,0.252563712242029,0.0024851151238600004],"properties":{"magmom":0.0},"label":"O","xyz":[2.8655558355193675,1.4264007072005405,-0.00860685522367806]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5003466964058271,0.7474448554381531,0.002517671645925],"properties":{"magmom":-0.0},"label":"O","xyz":[2.865741798556651,4.221307057570277,-0.008433438136701794]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500314896219855,0.25251253507313703,0.49742157774059503],"properties":{"magmom":0.0},"label":"O","xyz":[2.885933064033032,1.4261026594015465,2.7864745569377223]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5003440435331611,0.7474826521525061,0.49745697372470205],"properties":{"magmom":0.0},"label":"O","xyz":[2.886114637136613,4.221511501406326,2.7866640434602994]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9896152907605181,0.23800489183521,0.988243444387713],"properties":{"magmom":-0.0},"label":"F","xyz":[5.708504184358424,1.344173552205193,5.536181457796777]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.989659061267481,0.7616668497291951,0.5118260400413911],"properties":{"magmom":0.0},"label":"F","xyz":[5.689143755470363,4.301632020758515,2.845672210030624]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9896283191822591,0.23831850231443502,0.511921694786742],"properties":{"magmom":-0.0},"label":"F","xyz":[5.688957691368135,1.3459533877869068,2.8462234065667933]},{"species":[{"element":"F","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9896369829232371,0.7619944041775211,0.9881544077638861],"properties":{"magmom":-0.0},"label":"F","xyz":[5.708638706849055,4.303473248067211,5.535668033820315]}]} | false | -18.857445 | -18.857445 | -3.594899 | 0 | true | -0.006568 | 4.3433 | 6.5882 | 2.2449 | 2.28586 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Nd3+",
"O2-",
"F-",
"Bi3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
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