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-3250305 | ThAl3CoHg | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.196385047945444,-0.07826336545717501,0.0],[-7.122563487967042,4.056591813136171,0.0],[0.0,0.0,6.778624799488494]],"pbc":[true,true,true],"a":8.196758689174418,"b":8.196758370143934,"c":6.778624799488494,"alpha":90.0,"beta":90... | false | -26.504878 | -26.504878 | -0.459279 | 0 | true | -0.007142 | 0 | null | null | 7.430511 | false | true | false | NM | 0.000005 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250306 | Rb3HoBr6 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.067890923673251,-0.025508077004212003,-3.8972065089327472],[2.359779964081992,6.662370169011957,-3.897206506473791],[0.15163656001661602,0.106748104064911,8.453835324398105]],"pbc":[true,true,true],"a":8.071180294368535,"b":8... | false | -17.504115 | -17.504115 | -2.081394 | 0 | true | -0.060179 | 4.9804 | 3.0142 | -1.9662 | -1.931238 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"Rb+",
"Ho3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250307 | KSmFeH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.401085464994162,0.0,2.540968257828367],[1.467028488331387,4.149383248736557,2.540968257828367],[0.0,0.0,5.081936515656735]],"pbc":[true,true,true],"a":5.081935945825587,"b":5.081936010789859,"c":5.081936515656735,"alpha":59.9... | false | -8.274199 | -8.274199 | -0.396949 | 0 | true | -0.026879 | 1.8464 | 3.5619 | 1.7155 | 1.799705 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"K+",
"Sm3+",
"H-",
"Fe2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250308 | La2Ga3PIr4 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.170873694093666,0.0,0.0],[0.0,4.170873694093666,0.0],[0.0,0.0,10.509926823679107]],"pbc":[true,true,true],"a":4.170873694093666,"b":4.170873694093666,"c":10.509926823679107,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":182.8... | false | -32.191784 | -32.191784 | -0.966046 | 0 | true | -0.074673 | 0 | null | null | 8.724424 | false | true | false | NM | 0.000466 | 0.000003 | 0.000466 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250309 | U2ReBOs5 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.016094217707527,-0.0027262639302570004,2.898268927374191],[1.671388769853878,4.727400090905576,2.8949299440719862],[0.001927906022011,-0.0027262650784880002,5.793198874547452]],"pbc":[true,true,true],"a":5.793200446110651,"b"... | false | -54.151448 | -54.151448 | -0.310649 | 0 | true | -0.06285 | 0 | null | null | 9.679289 | false | true | false | NM | 0.000226 | 0.000002 | 0.000226 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250310 | Sm2Cu3PPt5 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.811763458176108,0.09614230104667801,0.0],[-7.205460802579674,5.134184560181913,0.0],[0.0,0.0,4.026938862362608]],"pbc":[true,true,true],"a":8.812287931343272,"b":8.84751470614898,"c":4.026938862362608,"alpha":90.0,"beta":90.0... | false | -33.441756 | -33.441756 | -0.855674 | 0 | true | -0.005404 | 0 | null | null | 7.858307 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250311 | DyCo(Sn2Ru)3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.873038446024348,0.044696873514213004,-3.439752242653713],[-1.933198286613222,5.545927506094874,-3.439752242378489],[-0.010941775634937001,-0.015526739459350002,6.9068368212089135]],"pbc":[true,true,true],"a":6.806355404313185... | false | -24.85374 | -24.85374 | -0.311309 | 0 | true | -0.022485 | 0.0167 | 8.7402 | 8.7235 | 8.735767 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250312 | Ac2B4OsRu3 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.867085141198343,0.02307845937288,3.8241090191039873],[3.359933075309605,4.756372502429994,1.894561001026183],[0.044653879423208004,-0.08430305305345101,5.7186710143027595]],"pbc":[true,true,true],"a":7.00335851283867,"b":6.12... | false | -30.103109 | -30.103109 | -0.511188 | 0 | true | -0.145354 | 0 | null | null | 8.224183 | 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-3250313 | TbCeRh6C | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.008247868715019,-0.0000197166830276,2.891519654888071],[1.669421351880179,4.721818658044085,2.891518680207088],[1.9586139512e-6,3.2711418000000005e-9,5.78303736966609]],"pbc":[true,true,true],"a":5.783029710236781,"b":5.78302... | false | -24.74103 | -24.74103 | -0.648622 | 0 | true | -0.035895 | 0 | null | null | 9.790189 | false | true | false | NM | 0.000407 | 0.000003 | 0.000407 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250314 | Na2(PuSe2)3 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.220966054306148,0.018727071568899002,1.041358989444497],[-3.820996823251699,6.127209278409889,1.041359001699199],[0.184231924277202,0.33302574968146204,7.265475422120782]],"pbc":[true,true,true],"a":7.295692565174886,"b":7.29... | false | -33.779884 | -33.779884 | -1.773814 | 0 | true | -0.06142 | 0.1214 | 4.0286 | 3.9072 | 3.964157 | false | false | true | FM | 14.000004 | 0.044168 | 14.000004 | 3 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250315 | Er3Lu3Bi2W | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.082485997287584,5.249830399999999e-9,0.0],[-4.041243489526356,6.999636657876321,0.0],[0.0,0.0,4.366993015159723]],"pbc":[true,true,true],"a":8.082485997287584,"b":8.082484907744966,"c":4.366993015159723,"alpha":90.0,"beta":90... | false | -43.182519 | -43.182519 | -0.472709 | 0 | true | -0.019333 | 0.0477 | 4.5454 | 4.4977 | 4.539561 | false | false | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250316 | K2CeIrO6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.095781330326441,-2.3933249e-9,2.942050965534038],[1.69859410559608,4.804349423479733,2.942050965534038],[0.0,0.0,5.884101931068077]],"pbc":[true,true,true],"a":5.884101566960183,"b":5.884102242675221,"c":5.884101931068077,"al... | false | -15.115106 | -15.115106 | -2.007935 | 0 | true | -0.018476 | 0.0568 | 2.5309 | 2.4741 | 2.521841 | true | false | true | FM | 3.000008 | 0.020826 | 3.000008 | 2 | 2 | [
"K+",
"O2-",
"Ir6+",
"Ce4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250317 | La3Mg3AgPb2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.8890638920774565,0.0,0.0],[-3.9445319460387283,6.832130057039752,0.0],[0.0,0.0,4.7023582354804905]],"pbc":[true,true,true],"a":7.8890638920774565,"b":7.889064164375016,"c":4.7023582354804905,"alpha":90.0,"beta":90.0,"gamma":1... | false | -26.753598 | -26.753598 | -0.56822 | 0 | true | -0.055512 | 0.0593 | 6.4896 | 6.4303 | 6.478072 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250318 | CeThBIr6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.116599021789249,-9.777626e-10,2.95407044897324],[1.705533006341239,4.823975904550484,2.9540704489732392],[-2.7655297000000004e-9,-1.9555249e-9,5.908139907125176]],"pbc":[true,true,true],"a":5.908139958334743,"b":5.90814002719... | false | -48.073764 | -48.073764 | -0.760612 | 0 | true | -0.004097 | 0 | null | null | 9.14389 | false | true | false | NM | 0.000063 | 0 | 0.000063 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250319 | Tm2H6RuPt | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.894503411688459,-0.043801260351968005,0.0],[-4.658022031696759,3.612468847623915,0.0],[0.0,0.0,4.606298848981156]],"pbc":[true,true,true],"a":5.8946661500729025,"b":5.894667117219229,"c":4.606298848981156,"alpha":90.0,"beta":... | false | -17.465897 | -17.465897 | -0.677395 | 0 | true | -0.040192 | 0 | null | null | 6.192168 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250320 | DyBeOs2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.605097641209889,-0.007814042170848001,0.0],[-4.298975227675529,3.596662874652618,0.0],[0.0,0.0,7.034471360233287]],"pbc":[true,true,true],"a":5.605103087968295,"b":5.605102304335961,"c":7.034471360233287,"alpha":90.0,"beta":9... | false | -30.887449 | -30.887449 | -0.439957 | 0 | true | -0.103091 | 0 | null | null | 6.106643 | false | true | false | NM | 0.000005 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250321 | Dy3Zn2Pd3Au | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.299896247968335,0.09223960991516501,0.0],[-3.5700668716063673,6.368016071416465,0.0],[0.0,0.0,3.77057276432675]],"pbc":[true,true,true],"a":7.3004789826928125,"b":7.300479857760013,"c":3.77057276432675,"alpha":90.0,"beta":90.... | false | -26.75983 | -26.75983 | -0.84506 | 0 | true | -0.008625 | 0 | null | null | 5.866186 | 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-3250322 | NpTeBr8 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.619702177389941,-0.006557341575644001,-0.0361500134063],[3.372440665324902,6.832757038192499,-0.036150021559072],[-0.014628554430112002,-0.009084410199387001,7.07025252211628]],"pbc":[true,true,true],"a":7.619790751347364,"b"... | false | -22.475602 | -22.475602 | -1.024355 | 0 | true | -0.01461 | 1.0456 | 1.2688 | 0.2232 | 0.290368 | false | false | true | FM | 2.999897 | 0.008146 | 2.999897 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250323 | La2Re2I | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.240099835850882,-1.2335804e-9,0.0],[-2.120048919906615,3.672034873901436,0.0],[0.0,0.0,18.729479869640127]],"pbc":[true,true,true],"a":4.240099835850882,"b":4.2400999443345135,"c":18.729479869640127,"alpha":90.0,"beta":90.0,"... | false | -38.404867 | -38.404867 | -0.630972 | 0 | true | -0.128187 | 0 | null | null | 7.211255 | false | true | false | NM | 0.002082 | 0.000007 | 0.001041 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250324 | PrAlOs2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.130225258561357,-0.0007125127026650001,0.0],[2.064235447897381,5.5462745730001854,0.0],[0.0,0.0,7.223845958644699]],"pbc":[true,true,true],"a":4.13022532001979,"b":5.917958230966529,"c":7.223845958644699,"alpha":90.0,"beta":9... | false | -30.808555 | -30.808555 | -0.397805 | 0 | true | -0.017338 | 0 | null | null | 6.256776 | false | true | false | NM | 0.000291 | 0.000002 | 0.000145 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250325 | Ac(Sn3Ru2)2 | 121 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.035580010832053,-0.029633014863052,-3.484668886542984],[-2.025839062511831,5.68551488064795,-3.484668887821624],[0.021008188737799003,0.029633016849385,6.969267660417824]],"pbc":[true,true,true],"a":6.969363057809948,"b":6.96... | false | -29.329112 | -29.329112 | -0.346137 | 0 | true | -0.041111 | 0 | null | null | 8.987872 | 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-3250326 | HoPaBIr6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.044780791833132,9.032553e-10,2.912605426088677],[1.681593266817961,4.756264606342061,2.9126054260886782],[-3.4899095000000003e-9,-2.4677386000000004e-9,5.825209864288016]],"pbc":[true,true,true],"a":5.825211035295608,"b":5.82... | false | -48.789333 | -48.789333 | -0.873796 | 0 | true | -0.0483 | 0 | null | null | 9.182894 | false | true | false | NM | 0.000946 | 0.000007 | 0.000946 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250327 | Sm3Mg3Si2Ag | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.356923333906353,0.0,0.0],[-3.6784616669531762,6.3712832671576,0.0],[0.0,0.0,4.388280399660658]],"pbc":[true,true,true],"a":7.356923333906353,"b":7.356923997541796,"c":4.388280399660658,"alpha":90.0,"beta":90.0,"gamma":119.999... | false | -16.198368 | -16.198368 | -0.575025 | 0 | true | -0.057467 | 0 | null | null | 4.472241 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250328 | DyLu3(Si2Tc)2 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.096958884875449,-0.016536766242849003,2.545080100223222],[3.43144518520848,3.768878813999693,2.545080100643667],[-0.03044748637999,-0.013396663249976001,9.927472506177464]],"pbc":[true,true,true],"a":5.697077852311727,"b":5.6... | false | -24.137278 | -24.137278 | -0.812695 | 0 | true | -0.007487 | 0 | null | null | 6.375101 | false | true | false | NM | 0.000118 | 0.000001 | 0.000118 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250329 | CaNdB4Ir5 | 42 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.171005036567084,-0.004431135690715,4.312146033647729],[4.291670542573047,4.436314110032661,1.3480590671937371],[-0.0014538491641160002,0.0034360044486520004,5.6602051021802104]],"pbc":[true,true,true],"a":7.528341531293839,"b... | false | -30.565997 | -30.565997 | -0.78068 | 0 | true | -0.026549 | 0 | null | null | 7.322537 | 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-3250330 | Ce2CuBRh5 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.081082067629641,1.06678045e-8,2.93356356480839],[1.751954050820312,4.708097038673162,2.832652758420549],[0.058261342209934,-0.08239311095210801,5.766217312861925]],"pbc":[true,true,true],"a":5.867127931685044,"b":5.7670999966... | false | -23.031021 | -23.031021 | -0.747071 | 0 | true | -0.048488 | 0 | null | null | 10.21588 | false | true | false | NM | 0.000019 | 0 | 0.000019 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250331 | NaNdFeH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2662887041539514,7.093875e-10,2.463142659369084],[1.4220962353868,4.022296076049645,2.463142659369085],[2.006451e-9,1.4187752e-9,4.92628631184673]],"pbc":[true,true,true],"a":4.926285727360463,"b":4.926286145415173,"c":4.9262... | false | -8.060105 | -8.060105 | -0.490521 | 0 | true | -0.121471 | 1.956 | 3.9881 | 2.0321 | 2.048222 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Na+",
"Fe2+",
"Nd3+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250332 | Pr2Nd2Zn2P5 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.143860303436887,0.0,0.0],[-2.071930151718443,3.588688177503019,0.0],[0.0,0.0,17.07083050625117]],"pbc":[true,true,true],"a":4.143860303436887,"b":4.143860203837715,"c":17.07083050625117,"alpha":90.0,"beta":90.0,"gamma":120.00... | false | -17.764699 | -17.764699 | -1.357834 | 0 | true | -0.00114 | 0 | null | null | 4.967126 | false | true | false | NM | 0.000004 | 0 | 0.000004 | 0 | 0 | [
"Pr3+",
"Zn2+",
"P3-",
"Nd2+",
"P2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250333 | SrCeTcH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.593720090836751,-3.2354875000000004e-9,2.652185271802011],[1.5312406908336251,4.331001128456443,2.652185271802011],[0.0,0.0,5.304370543604022]],"pbc":[true,true,true],"a":5.304370932440595,"b":5.304371361803312,"c":5.30437054... | false | -10.916509 | -10.916509 | -0.618551 | 0 | true | -0.102041 | 0.8728 | 5.4979 | 4.6251 | 4.657504 | false | false | true | FM | 0.999989 | 0.009476 | 0.999989 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250334 | SmTh2(BN2)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.49129126083368,0.025578014540067,-3.390903248129831],[-0.5404131815395601,3.389960428457933,-5.465280265175936],[-0.012234733770957,-0.025579014311510002,6.453864543166052]],"pbc":[true,true,true],"a":6.4539258427962745,"b":6... | false | -26.91981 | -26.91981 | -1.59857 | 0 | true | -0.008963 | 0 | null | null | 8.181385 | false | true | false | NM | 0.000717 | 0.000006 | 0.000717 | 0 | 0 | [
"N3-",
"Th3+",
"Th4+",
"B+",
"Sm3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250335 | ThSiTc2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.890818664545246,0.013470042021197,0.0],[-4.55247992272341,3.7385636035875343,0.0],[0.0,0.0,7.301695320684525]],"pbc":[true,true,true],"a":5.890834064933988,"b":5.890834513451312,"c":7.301695320684525,"alpha":90.0,"beta":90.0,... | false | -29.425981 | -29.425981 | -0.600863 | 0 | true | -0.045181 | 0 | null | null | 9.931683 | false | true | false | NM | 0.007001 | 0.000043 | 0.0035 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250336 | Ba2ThAg2S5 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.149235677471704,-5.209261e-10,-0.9565392760104291],[-2.518444536897186,6.72537985670942,-1.44694546036341],[-0.020112308866931,0.280508153181452,9.390222263674525]],"pbc":[true,true,true],"a":4.258065769073397,"b":7.325772878... | false | -22.644469 | -22.644469 | -1.708831 | 0 | true | -0.019326 | 1.6088 | 5.3404 | 3.7316 | 3.815808 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Th4+",
"Ag+",
"S2-",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250337 | Yb2B(PdPt2)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.004249220466068,-0.039964179397053004,2.937242148122512],[1.6304041732764871,4.731372719079671,2.9372421481225133],[-6.4308861000000016e-9,-4.5473233000000014e-9,5.874483316397286]],"pbc":[true,true,true],"a":5.80271478127931... | false | -37.991498 | -37.991498 | -1.071844 | 0 | true | -0.021676 | 0 | null | null | 9.11587 | 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-3250338 | LiHo2Ag3O8 | 2 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.204729717699905,0.09451042463135301,-3.946250411741753],[-1.585581718784305,4.935589811808464,-3.795111639430272],[0.016695674721795003,-0.044027501011666005,6.46363021119876]],"pbc":[true,true,true],"a":6.532307093733767,"b"... | false | -14.601257 | -14.601257 | -1.744307 | 0 | true | -0.011557 | 1.0786 | 4.4513 | 3.3727 | 3.912 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Ag3+",
"Ho3+",
"Li+",
"O2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250339 | Yb8As5Br | 82 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.194423791098917,-0.0000130476429889,-2.5403581615929682],[-3.598739099851985,6.227895753094218,-2.544708461389708],[0.0030694747236330003,0.000013047642795600002,7.629753777660784]],"pbc":[true,true,true],"a":7.62975447018266... | false | -28.239473 | -28.239473 | -1.16579 | 0.299482 | false | null | 0 | null | null | 4.327665 | false | true | false | NM | 0.002453 | 0.000007 | 0.002453 | 0 | 0 | [
"As3-",
"Br-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250340 | La6Pr2TmPt6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.383354819527257,-0.010902092577406,2.426628590476504],[1.753480953347062,7.172123347092437,2.4266289009603472],[-0.013910306224789,-0.010902509346370002,7.771890062409856]],"pbc":[true,true,true],"a":7.771909261100321,"b":7.7... | false | -39.844342 | -39.844342 | -1.089412 | 0 | true | -0.006813 | 0 | null | null | 7.711881 | false | true | false | NM | 0.004245 | 0.00001 | 0.004245 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250341 | Tb9DyOsRu3 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.43801537453035,-0.008356060673427,0.9876280656150811],[6.044835178119539,5.894314227607784,0.990457810264711],[0.011647399900234001,0.008200728948085,7.2677584851852695]],"pbc":[true,true,true],"a":8.495621371068225,"b":8.500... | false | -31.951382 | -31.951382 | -0.360057 | 0 | true | -0.002335 | 0 | null | null | 4.5477 | 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-3250342 | CaLa2(OsO5)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.272892576801705,0.035732198905049,1.6654090597393552],[-0.545865962416158,5.244684029298331,1.6654090588019541],[-0.033697915779209005,-0.037642758929261,6.958138836469207]],"pbc":[true,true,true],"a":5.529761319694643,"b":5.... | false | -17.836331 | -17.836331 | -2.354754 | 0 | true | -0.011375 | 0.3768 | 5.4319 | 5.0551 | 5.138289 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250343 | Li(La4Pt3)2 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.436740141204265,0.157991131904682,2.633467039910799],[1.9119368817507372,7.188502291771829,2.633467818383692],[0.20104929873934302,0.157990453996423,7.886687816830242]],"pbc":[true,true,true],"a":7.8908309939990415,"b":7.8908... | false | -37.701003 | -37.701003 | -1.08292 | 0 | true | -0.017507 | 0 | null | null | 8.227881 | false | true | false | NM | 0.041026 | 0.000099 | 0.041026 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250344 | Li6Tm2NpN6 | 162 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.882082245589162,-2.533655194e-6,0.0],[-2.941038796348653,5.094032630678791,0.0],[0.0,0.0,5.434265620008659]],"pbc":[true,true,true],"a":5.882082245589707,"b":5.882081064049374,"c":5.434265620008659,"alpha":90.0,"beta":90.0,"g... | false | -16.11847 | -16.11847 | -1.294534 | 0 | true | -0.152348 | 1.6319 | 5.987 | 4.3551 | 4.375907 | false | false | true | FM | 0.999966 | 0.006141 | 0.999966 | 1 | 1 | [
"Tm3+",
"N2.83-",
"Li+",
"Np5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250345 | TbHfAgS4 | 74 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.665152295859592,-0.025752440747663002,-3.962572394893941],[-2.164591296791056,6.409474594090461,-3.78947055063089],[-0.13644142216678,0.025752440114714004,7.752911034549702]],"pbc":[true,true,true],"a":7.754153615964953,"b":7... | false | -20.221062 | -20.221062 | -1.668223 | 0 | true | -0.008802 | 1.05 | 4.313 | 3.263 | 3.788 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Ag+",
"Hf4+",
"S2-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250346 | Ac8ZnNi6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.471194916156907,0.020995536749245,2.099040450010091],[1.596125738311011,7.298738739360898,2.099037609708649],[0.026009092232944002,0.020997635688332003,7.760415948701976]],"pbc":[true,true,true],"a":7.7604874266086386,"b":7.7... | false | -42.173894 | -42.173894 | -0.180511 | 0 | true | -0.141523 | 0 | null | null | 6.53556 | false | true | false | NM | 0.000048 | 0 | 0.000048 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250347 | Ca(Pr2Ir)2 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.866574563020032,-0.061170983140712,1.000186978314964],[6.33095674583472,6.207967314230907,1.000186978287362],[-0.017635849940147,-0.0071326926346770006,7.416799527685202]],"pbc":[true,true,true],"a":8.923018567859371,"b":8.92... | false | -33.297762 | -33.297762 | -0.530215 | 0 | true | -0.007469 | 0 | null | null | 4.264462 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250348 | Pr7Nd3(IrRu)2 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.925411126902887,-0.039974103141988,0.963210387704533],[6.4525617430985465,6.193668471082558,0.9616447781457731],[-0.04255781776405,-0.018918778709581002,7.347513667283153]],"pbc":[true,true,true],"a":8.977323429850669,"b":8.9... | false | -32.50406 | -32.50406 | -0.386239 | 0.000081 | false | null | 0 | null | null | 4.587207 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250349 | Dy4Ho6IrRu3 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.878587262991904,0.0032683156136210003,-2.389043939847645],[-0.342719374950859,7.151247619537314,-0.8593885074698351],[-0.020559712012835,0.003224349697653,8.450001929374285]],"pbc":[true,true,true],"a":6.345496815618171,"b":7... | false | -32.906714 | -32.906714 | -0.488983 | 0 | true | -0.000884 | 0 | null | null | 4.495534 | false | true | false | NM | 0.002707 | 0.000008 | 0.002707 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250350 | Y3Ho7Ru3Rh | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.870196168807494,0.012558511344276001,-2.3678221195587312],[-0.341738962589132,7.16965103649677,-0.86135251608213],[0.00010844298132500001,-0.008079881738629,8.462632415269141]],"pbc":[true,true,true],"a":6.329766375338111,"b"... | false | -28.414362 | -28.414362 | -0.448644 | 0.000024 | false | null | 0 | null | null | 4.582688 | false | true | false | NM | 0.023459 | 0.000066 | 0.023459 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250351 | Li2Sm2Si2Sn | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.660765356573458,0.0065841901260630005,0.0],[-8.624102584967275,4.353765316328314,0.0],[0.0,0.0,6.831169879105667]],"pbc":[true,true,true],"a":9.660767600264977,"b":9.66076693775927,"c":6.831169879105667,"alpha":90.0,"beta":90... | false | -15.958115 | -15.958115 | -0.739119 | 0 | true | -0.043264 | 0 | null | null | 5.226961 | false | true | false | NM | 0.000005 | 0 | 0.000002 | 0 | 0 | [
"Sm2+",
"Sn2+",
"Li+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250352 | Sr2SmAg5S6 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.081021130147317,0.0,0.0],[-2.040510565073658,6.856041641053875,-0.6953490265230361],[0.0,-0.131683638953628,11.220839471924851]],"pbc":[true,true,true],"a":4.081021130147317,"b":7.186967414614349,"c":11.221612140662982,"alpha... | false | -16.551331 | -16.551331 | -1.193627 | 0 | true | -0.012523 | 1.6073 | 5.8787 | 4.2714 | 4.301663 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Sm3+",
"Sr2+",
"Ag+",
"S2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250353 | LaEr2P4Pd7 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.54261838807483,-0.006054164132795001,4.45803787140016],[5.328183487056289,3.796888138389343,4.45803786998249],[-0.039335140881106005,-0.012560756767494002,9.464642074778409]],"pbc":[true,true,true],"a":7.917069766505554,"b":7... | false | -22.100579 | -22.100579 | -1.077212 | 0 | true | -0.000702 | 0 | null | null | 9.031986 | false | true | false | NM | 0.000338 | 0.000001 | 0.000338 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250354 | Ac4Yb3Pr3Ru4 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.867238781871807,-0.008428682204746001,0.9265071501148161],[6.410359309074799,6.24482660516518,0.903208197995578],[0.033148419018443,-0.013986414571421002,7.561766899190168]],"pbc":[true,true,true],"a":8.915515136918842,"b":8.... | false | -41.207298 | -41.207298 | -0.203864 | 0.061376 | false | null | 0 | null | null | 5.633542 | false | true | false | NM | 0.000185 | 0 | 0.000185 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250355 | NdYCBr | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.749401636839704,3.116044e-10,0.0],[-1.8747013178848442,3.247076162267684,0.0],[0.0,0.0,14.440691846802341]],"pbc":[true,true,true],"a":3.749401636839704,"b":3.7494011034892227,"c":14.440691846802341,"alpha":90.0,"beta":90.0,"... | false | -19.377379 | -19.377379 | -1.142948 | 0 | true | -0.100736 | 0 | null | null | 5.15313 | false | true | false | NM | 0.000166 | 0.000001 | 0.000083 | 0 | 0 | [
"Br-",
"Nd2+",
"Y3+",
"C4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250356 | YbHoFeIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.577926276492334,-0.022800969414422,2.214555488919346],[1.3793081206574451,4.365255229732853,2.214555482321166],[-0.031280047608784,-0.022800966259684002,5.085340766441129]],"pbc":[true,true,true],"a":5.085487674816252,"b":5.0... | false | -41.00131 | -41.00131 | -0.850948 | 0 | true | -0.001775 | 0 | null | null | 6.775176 | false | true | true | FiM | 2.813016 | 0.027511 | 2.813016 | 3 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250357 | AcSc(AlZn)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4397789688752844,-5.7042847e-9,0.0],[-2.219888994324907,3.8449611671966513,0.0],[0.0,0.0,7.693791507255047]],"pbc":[true,true,true],"a":4.4397789688752844,"b":4.439778544519432,"c":7.693791507255047,"alpha":90.0,"beta":90.0,"... | false | -19.018844 | -19.018844 | -0.465282 | 0 | true | -0.067361 | 0 | null | null | 5.138113 | false | true | false | NM | 0.142872 | 0.001088 | 0.142872 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250358 | NdMnSi2Tc | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8115897839966753,-0.004419882421399001,-4.698554772896704],[-0.48270189513230005,3.780903626336272,-4.698554769762666],[0.0038959794370260004,0.00441987979308,6.050175545819242]],"pbc":[true,true,true],"a":6.0501779453780395,... | false | -18.228124 | -18.228124 | -0.705417 | 0 | true | -0.088484 | 0 | null | null | 7.649705 | false | true | true | FiM | 2.913461 | 0.033359 | 2.913461 | 2 | 2 | [
"Nd2+",
"Mn2+",
"Si4-",
"Tc4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250359 | ErMgCuNi3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.264945423992851,6.2293248e-9,2.482502432588874],[1.40997568828833,4.025137348029543,2.482502427054952],[0.010310072464047,0.007313330143301,4.887132946272396]],"pbc":[true,true,true],"a":4.934833107355023,"b":4.93483337230348... | false | -14.490658 | -14.490658 | -0.342877 | 0 | true | -0.036729 | 0 | null | null | 5.821944 | 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-3250360 | LiPrCdPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.649654194928589,-0.026938861425622,2.387379471029578],[1.446182731345009,4.41911363855329,2.387378484844851],[-0.037388026131634,-0.026938864159830003,5.226611445824903]],"pbc":[true,true,true],"a":5.226814572315091,"b":5.226... | false | -35.286252 | -35.286252 | -0.893119 | 0 | true | -0.057777 | 0 | null | null | 6.527987 | 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-3250361 | Pa2Al3Re | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.652781202580728,0.00296867934747,2.999621940786141],[1.636626082015413,4.355436426597666,2.999621941310127],[0.004284038586614,0.002968683981089,5.535890423876079]],"pbc":[true,true,true],"a":5.535893199818007,"b":5.535892266... | false | -38.080278 | -38.080278 | -0.360454 | 0 | true | -0.075662 | 0 | null | null | 10.178072 | false | true | false | NM | 0.005271 | 0.000047 | 0.005271 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250362 | TbZn2AgPt2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.534038950292561,-3.3741598e-9,2.524033565212411],[1.699995083727783,4.356648750764581,2.280589899356995],[0.073557704520243,-0.053000564284904,5.202234047109775]],"pbc":[true,true,true],"a":5.189244130033674,"b":5.20302430431... | false | -29.669002 | -29.669002 | -0.77251 | 0 | true | -0.038467 | 0 | null | null | 6.549302 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250363 | Ho2ZnSiI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.08864322768661,-5.9629578e-9,0.0],[-2.044320624153809,3.5408679124517612,0.0],[0.0,0.0,11.680368381008961]],"pbc":[true,true,true],"a":4.08864322768661,"b":4.08864187570532,"c":11.680368381008961,"alpha":90.0,"beta":90.0,"gam... | false | -23.235621 | -23.235621 | -1.141551 | 0 | true | -0.067121 | 0 | null | null | 4.484768 | false | true | false | NM | 0.000084 | 0 | 0.000084 | 0 | 0 | [
"Zn2+",
"Ho2+",
"Si4-",
"I-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250364 | Sr(YbBi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.202259840654394,0.0,0.0],[-2.601129920327197,4.505289087718728,0.0],[0.0,0.0,8.040987306960922]],"pbc":[true,true,true],"a":5.202259840654394,"b":5.202259761520835,"c":8.040987306960922,"alpha":90.0,"beta":90.0,"gamma":120.00... | false | -41.645477 | -41.645477 | -0.603684 | 0 | true | -0.056505 | 0 | null | null | 3.73099 | false | true | false | NM | 0.000026 | 0 | 0.000026 | 0 | 0 | [
"Sr2+",
"Bi3-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250365 | HoCd(NiPt)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.325664276157983,3.9838456e-9,2.4974238503412862],[1.480527755827185,4.260287218726,2.430496521192271],[-0.072920799472971,-0.133531058125159,5.121149341518702]],"pbc":[true,true,true],"a":4.994847076566295,"b":5.1234093103462... | false | -30.680672 | -30.680672 | -0.693139 | 0 | true | -0.0218 | 0 | null | null | 6.834988 | false | true | true | FiM | 0.601565 | 0.006262 | 0.601565 | 3 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250366 | PmTiSi2Pt | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.992907228780044,0.159052547042584,-4.5236856387654605],[-0.45380505885189504,3.97022242139364,-4.523685635116582],[-0.13631957154829702,-0.15905255342163302,6.032284748994741]],"pbc":[true,true,true],"a":6.0359206098769675,"b... | false | -23.303477 | -23.303477 | -1.000754 | 0 | true | -0.182158 | 0 | null | null | 7.578988 | false | true | true | FM | 1.018264 | 0.01125 | 1.018264 | 1 | 1 | [
"Ti3+",
"Pm3+",
"Pt2+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250367 | LaTh2As3 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.282836614128977,0.0,0.0],[-2.141418307064488,3.709045108264061,0.0],[0.0,0.0,10.54578083494489]],"pbc":[true,true,true],"a":4.282836614128977,"b":4.282836441071326,"c":10.54578083494489,"alpha":90.0,"beta":90.0,"gamma":120.00... | false | -38.503451 | -38.503451 | -1.700469 | 0.001874 | false | null | 0 | null | null | 6.981183 | false | true | false | NM | 0.000373 | 0.000002 | 0.000373 | 0 | 0 | [
"As3-",
"Th3+",
"La3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250368 | GdErS2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.816654529510256,0.064921912858209,5.600597909126681],[1.774695068419334,3.379574769585508,5.600597911063644],[0.10538644125362001,0.06492190948951,6.776609989198035]],"pbc":[true,true,true],"a":6.777740301318314,"b":6.7777404... | false | -25.572022 | -25.572022 | -2.224393 | 0 | true | -0.009997 | 0 | null | null | 6.705296 | false | true | true | FiM | 7.031123 | 0.083774 | 7.031123 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250369 | NdY(CuSi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.144453388687362,0.0,0.0],[-2.072226694343681,3.589201482653026,0.0],[0.0,0.0,7.813631098532845]],"pbc":[true,true,true],"a":4.144453388687362,"b":4.144453010450139,"c":7.813631098532845,"alpha":90.0,"beta":90.0,"gamma":120.00... | false | -15.538805 | -15.538805 | -0.710017 | 0 | true | -0.003787 | 0 | null | null | 5.592152 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Nd3+",
"Y3+",
"Cu+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250370 | TbCdCu3Pd | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.403619041786287,-9.626261e-10,2.542430990913653],[1.467873997165868,4.268070964056816,2.542430995132983],[-7.839597000000003e-9,-3.107173e-10,5.084861008634994]],"pbc":[true,true,true],"a":5.084861454232648,"b":5.180254741882... | false | -18.204569 | -18.204569 | -0.399192 | 0 | true | -0.025683 | 0 | null | null | 6.002173 | 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-3250371 | ErPa(IN)2 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.969074342815166,0.0,0.0],[0.0,3.969074342815165,0.0],[0.0,0.0,9.595725445830306]],"pbc":[true,true,true],"a":3.969074342815166,"b":3.969074342815165,"c":9.595725445830306,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":151.166... | false | -31.630314 | -31.630314 | -1.937593 | 0 | true | -0.166255 | 2.3009 | 6.1622 | 3.8613 | 4.009259 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"N3-",
"I-",
"Er3+",
"Pa5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250372 | TbPaBiN2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.884293451363687,0.10741761764822201,-6.175469692317796],[-0.23255108191241003,3.878814844097536,-6.175469695654298],[-0.09840367385408101,-0.10741761784928101,7.294825848300356]],"pbc":[true,true,true],"a":7.296279879611506,"... | false | -38.648989 | -38.648989 | -1.680543 | 0 | true | -0.089169 | 0 | null | null | 6.244526 | 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-3250373 | PrHoMnIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.687980612086235,-0.011992660050617,2.2902825403502822],[1.4250685158489111,4.466149645216617,2.290282535772529],[-0.016459135627034,-0.011992658252880001,5.217497457105615]],"pbc":[true,true,true],"a":5.217537748576896,"b":5.... | false | -39.807118 | -39.807118 | -0.799335 | 0 | true | -0.031846 | 0 | null | null | 6.806334 | false | true | true | FiM | 3.245234 | 0.029613 | 3.245234 | 3 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250374 | Er2AlIrRu | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.888818661264609,0.052978572420148,-2.46766779380215],[-1.013077611307052,3.635616658790199,-3.9684636476852453],[0.105691396842293,-0.052978573806753006,5.475287035036763]],"pbc":[true,true,true],"a":5.476562696841253,"b":5.4... | false | -31.316422 | -31.316422 | -0.84305 | 0 | true | -0.005547 | 0 | null | null | 6.182735 | 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-3250375 | Nd2AlRe3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.901741346350132,-0.082020206035677,2.696082510679813],[1.556583848487801,4.402684305379032,2.696082510679813],[0.0,0.0,5.392165021359627]],"pbc":[true,true,true],"a":5.59487769706453,"b":5.392164989556376,"c":5.39216502135962... | false | -37.327685 | -37.327685 | -0.194358 | 0 | true | -0.030078 | 0 | null | null | 5.806903 | false | true | false | NM | 0.00003 | 0 | 0.00003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250376 | TmTiGa4Mo | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.22664352615519,0.006959433972808001,-1.324805626117439],[-3.163484517330551,4.160556106724942,-1.324805622715318],[-0.003444989047492,-0.006959424119937001,5.391930274157294]],"pbc":[true,true,true],"a":5.391934803965419,"b":... | false | -17.660976 | -17.660976 | -0.532134 | 0 | true | -0.01637 | 0 | null | null | 6.953836 | false | true | false | NM | 0.000019 | 0 | 0.000019 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250377 | Li4NdBi2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.491702521009003,-0.002824371795572,7.573156664798083],[2.074780395556929,3.98380423649902,7.573156670201889],[-0.004659136142358001,-0.0028243713921220002,8.805002566104696]],"pbc":[true,true,true],"a":8.805004337528194,"b":8... | false | -23.000289 | -23.000289 | -0.718949 | 0 | true | -0.011053 | 0 | null | null | 4.367831 | false | true | false | NM | 0.000721 | 0.000005 | 0.000721 | 0 | 0 | [
"Nd2+",
"Bi3-",
"Li+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250378 | La2MnSi4Tc | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.110578744241037,0.047101628496731,0.0],[-8.138050950867548,4.095974184160143,0.0],[0.0,0.0,4.100249052333611]],"pbc":[true,true,true],"a":9.110700500972667,"b":9.110701279057642,"c":4.100249052333611,"alpha":90.0,"beta":90.0,... | false | -17.62919 | -17.62919 | -0.725113 | 0 | true | -0.024455 | 0 | null | null | 9.108518 | false | true | true | FM | 2.843217 | 0.018393 | 2.843217 | 1 | 1 | [
"Tc7+",
"La3+",
"Si4-",
"Mn3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250379 | TbCdGePt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.625306145483018,-0.05340449512779501,2.28880440168728],[1.398511230154,4.409135427646388,2.2888044006454162],[-0.07385667204943,-0.053404496851040005,5.160099385369853]],"pbc":[true,true,true],"a":5.160904433209929,"b":5.1609... | false | -37.504855 | -37.504855 | -0.893763 | 0 | true | -0.039949 | 0 | null | null | 7.80102 | 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-3250380 | Pa2Al3Ga | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.695590394665871,-0.10551201528194501,2.60930977257477],[1.486505533980094,4.455335263454895,2.609309774009888],[-0.14995757006628302,-0.105512012929242,5.369783886400291]],"pbc":[true,true,true],"a":5.372913495404653,"b":5.37... | false | -31.264732 | -31.264732 | -0.372881 | 0 | true | -0.080736 | 0 | null | null | 9.916878 | false | true | true | FM | 1.880599 | 0.016233 | 1.880599 | 2 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250381 | Tm2Si2PtRh3 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.006522997164547,0.03368231418154,0.0],[-8.179835241389743,3.7694676535640332,0.0],[0.0,0.0,4.062376422097267]],"pbc":[true,true,true],"a":9.006585978979075,"b":9.006585977358297,"c":4.062376422097267,"alpha":90.0,"beta":90.0,... | false | -27.668828 | -27.668828 | -1.208074 | 0 | true | -0.021897 | 0 | null | null | 7.97393 | 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-3250382 | ThHgPt3Rh | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.697743222589074,-0.014505321469194001,2.688556863477319],[1.55223881118149,4.390395123255412,2.688556862856655],[-3.8390711e-9,-3.4946690000000004e-9,5.377112741044814]],"pbc":[true,true,true],"a":5.412701709671752,"b":5.3771... | false | -51.080298 | -51.080298 | -0.83989 | 0 | true | -0.027198 | 0 | null | null | 8.800965 | 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-3250383 | Ac(CoB)2 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.492863751184044,0.064315190960805,-4.781990733393565],[-0.320399209737106,3.47873247888358,-4.781990736010721],[-0.057588875956486006,-0.064315189142334,5.921504409062439]],"pbc":[true,true,true],"a":5.922133821722178,"b":5.9... | false | -22.314832 | -22.314832 | -0.355102 | 0 | true | -0.117082 | 0 | null | null | 8.46807 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"Co1.50+",
"B3-",
"Ac3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250384 | LaSc(ZnSn)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.442842670102401,-9.0948604e-9,0.0],[-2.221420850863825,3.847614793955762,0.0],[0.0,0.0,16.469068030183944]],"pbc":[true,true,true],"a":4.442842670102401,"b":4.44284258097446,"c":16.469068030183944,"alpha":90.0,"beta":90.0,"ga... | false | -18.739371 | -18.739371 | -0.663231 | 0 | true | -0.017684 | 0 | null | null | 6.607122 | false | true | false | NM | 0.000182 | 0.000001 | 0.000091 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250385 | BaLaTe3Au | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.94282294161905,0.012267023407879002,0.0],[-6.61785727834186,4.392327683001424,0.0],[0.0,0.0,11.878940352252872]],"pbc":[true,true,true],"a":7.942832414307454,"b":7.9428318269596385,"c":11.878940352252872,"alpha":90.0,"beta":9... | false | -32.036519 | -32.036519 | -1.52302 | 0 | true | -0.022977 | 1.1843 | 6.1617 | 4.9774 | 5.0405 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250386 | Tb4GaSi5Au2 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.692186116722428,0.003014072324224,2.9194496296726893],[5.489783736475392,5.391158128392935,2.901925257379553],[-0.001569707844683,0.004367854095985,5.820907610285858]],"pbc":[true,true,true],"a":8.22757087354009,"b":8.2233497... | false | -24.317913 | -24.317913 | -0.868975 | 0 | true | -0.133533 | 0 | null | null | 6.583453 | false | true | false | NM | 0.000009 | 0 | 0.000009 | 0 | 0 | [
"Au3+",
"Ga2+",
"Si4-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250387 | CsHoHgTe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.827507400048118,-0.167289654123104,0.0],[-7.594285916010808,4.503296648351772,0.0],[0.0,0.0,11.805694241972823]],"pbc":[true,true,true],"a":8.829092406713213,"b":8.82909164507745,"c":11.805694241972823,"alpha":90.0,"beta":90.... | false | -31.774145 | -31.774145 | -1.172599 | 0 | true | -0.052921 | 1.3062 | 4.1107 | 2.8045 | 2.890078 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Hg2+",
"Ho3+",
"Cs+",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250388 | Ho2NpFe2Si7 | 65 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[12.46685391779044,-0.08125039159057701,0.0],[-11.808607147558329,3.998231203268077,0.0],[0.0,0.0,3.9933430582453613]],"pbc":[true,true,true],"a":12.467118682103754,"b":12.467118974332127,"c":3.9933430582453613,"alpha":90.0,"bet... | false | -20.425511 | -20.425511 | -0.506342 | 0.043163 | false | null | 0 | null | null | 8.763258 | false | true | true | FM | 0.119995 | 0.000615 | 0.119995 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250389 | CeSc(AsPt)2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.242970500028607,0.0,0.0],[-2.121485250014303,3.674521344673613,0.0],[0.0,0.0,15.153879263649545]],"pbc":[true,true,true],"a":4.242970500028607,"b":4.2429714562426915,"c":15.153879263649545,"alpha":90.0,"beta":90.0,"gamma":119... | false | -30.461467 | -30.461467 | -1.356531 | 0 | true | -0.03067 | 0 | null | null | 7.854667 | false | true | true | FM | 1.713584 | 0.007253 | 0.856792 | 2 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250390 | YbScReH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.22944615285693,-1.7376268e-9,2.441870842381062],[1.409816045424809,3.98756055574632,2.441870842381063],[6.7136703000000005e-9,4.7472818e-9,4.8837436614659575]],"pbc":[true,true,true],"a":4.883743233503076,"b":4.88374381786677... | false | -13.998668 | -13.998668 | -0.546539 | 0 | true | -0.00809 | 0 | null | null | 5.096302 | false | true | false | NM | 0.004841 | 0.000059 | 0.004841 | 0 | 0 | [
"Re3+",
"Sc+",
"Yb2+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250391 | Nd3In3Pt2Au | 174 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.8069898786758944,-3.26754397e-8,0.0],[-3.903493402498886,6.76105125232346,0.0],[0.0,0.0,4.006553729986096]],"pbc":[true,true,true],"a":7.8069898786758944,"b":7.806988842050241,"c":4.006553729986096,"alpha":90.0,"beta":90.0,"g... | false | -35.418368 | -35.418368 | -1.023903 | 0 | true | -0.00973 | 0 | null | null | 6.951149 | false | true | false | NM | 0.000017 | 0 | 0.000017 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250392 | Nd2B4Ir2Rh3 | 22 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.152900920319798,0.032219531644144005,4.365452080885405],[4.265751994843456,4.445105806634036,1.3191354112019171],[-0.007896500150723,0.018464839050007002,5.684588483404965]],"pbc":[true,true,true],"a":7.5442958388439605,"b":6... | false | -24.925804 | -24.925804 | -0.803183 | 0 | true | -0.00343 | 0 | null | null | 8.298674 | 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-3250393 | PaMo3P4Rh3 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.05525202227578,-6.6446134e-9,0.0],[-3.5276250226671872,6.110028287448386,0.0],[0.0,0.0,3.770450566446765]],"pbc":[true,true,true],"a":7.05525202227578,"b":7.055252226105536,"c":3.770450566446765,"alpha":90.0,"beta":90.0,"gamm... | false | -24.797087 | -24.797087 | -0.843547 | 0 | true | -0.02308 | 0 | null | null | 12.273078 | 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-3250394 | Ho(BPt4)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.025562778538137,0.013715311523081001,3.508818482937485],[3.471565022667845,3.6338290393653963,3.50881847999556],[-0.015051481008723002,-0.006461046473004,8.910067739845287]],"pbc":[true,true,true],"a":6.129296574404101,"b":6.... | false | -42.358994 | -42.358994 | -0.588468 | 0 | true | -0.067301 | 0 | null | null | 9.368607 | 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-3250395 | La4SiOs3I2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.293190949193326,2.5553345e-9,0.0],[-2.146596470246015,3.718012121085352,0.0],[0.0,0.0,17.994909228029588]],"pbc":[true,true,true],"a":4.293190949193326,"b":4.293191183561507,"c":17.994909228029588,"alpha":90.0,"beta":90.0,"ga... | false | -34.491381 | -34.491381 | -0.908787 | 0 | true | -0.046722 | 0 | null | null | 7.551457 | false | true | false | NM | 0.002473 | 0.000009 | 0.002473 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250396 | La2Cu2PPt6 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.19909459067124,0.015563555073942002,0.0],[-7.589640341342943,5.198165582811104,0.0],[0.0,0.0,4.071921596619772]],"pbc":[true,true,true],"a":9.19910775631873,"b":9.199106801057487,"c":4.071921596619772,"alpha":90.0,"beta":90.0... | false | -37.252045 | -37.252045 | -0.969179 | 0 | true | -0.033248 | 0 | null | null | 9.811248 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250397 | Ba2ThCu2Te5 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.417026355140624,1.6494192000000002e-9,-1.020435134909416],[-2.738479043644623,7.1988363192015195,-1.78377571307925],[0.031399145328934,0.000249913923903,10.205836199736984]],"pbc":[true,true,true],"a":4.533366264329904,"b":7.... | false | -28.82858 | -28.82858 | -1.303166 | 0 | true | -0.013595 | 0.54 | 5.1986 | 4.6586 | 4.841282 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Th4+",
"Te2-",
"Cu+",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250398 | Ca2ErTaN4 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.290383790810453,-0.105214561109341,2.427254823638867],[3.144353278962385,4.274398171590057,2.443623682714212],[-0.011850512951164,0.010585943099493001,4.877170045093733]],"pbc":[true,true,true],"a":5.821580261133359,"b":5.841... | false | -18.249766 | -18.249766 | -1.611158 | 0 | true | -0.046928 | 2.4423 | 6.0431 | 3.6008 | 3.620502 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Ta5+",
"Ca2+",
"Er3+",
"N3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250399 | Tb2B(IrPd2)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.083956987654518,-0.016791964577646,2.953711626374138],[1.692073028005779,4.785906879091373,2.930757649149894],[0.016011162648603,-0.016791969084071,5.879691883960557]],"pbc":[true,true,true],"a":5.8797374936448765,"b":5.86151... | false | -30.469634 | -30.469634 | -0.874107 | 0 | true | -0.018946 | 0 | null | null | 7.621325 | 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-3250400 | Li3Ho3ZnSb2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.218214932795552,-3.0226698000000002e-9,0.0],[-3.609106971641063,6.251157904909631,0.0],[0.0,0.0,4.428249040371467]],"pbc":[true,true,true],"a":7.218214932795552,"b":7.218215034540208,"c":4.428249040371467,"alpha":90.0,"beta":... | false | -19.208818 | -19.208818 | -0.750219 | 0 | true | -0.020605 | 0.0466 | 4.505 | 4.4584 | 4.494824 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250401 | Sm2BPdPt5 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.110938118268492,0.013321650934456001,3.348060639621507],[1.785470665761874,4.828139621934625,3.3954432169616062],[-0.017301777071397,0.048195678339303,6.166461570137732]],"pbc":[true,true,true],"a":6.1099407494456335,"b":6.16... | false | -39.577394 | -39.577394 | -0.998368 | 0 | true | -0.020356 | 0 | null | null | 8.498534 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250402 | CeSiW2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.988390768402605,-0.20678875365076502,0.0],[-4.703363810708616,3.712407047908361,0.0],[0.0,0.0,7.7591844268460735]],"pbc":[true,true,true],"a":5.991960078615843,"b":5.991961050043896,"c":7.7591844268460735,"alpha":90.0,"beta":... | false | -30.842927 | -30.842927 | -0.383484 | 0 | true | -0.022416 | 0 | null | null | 9.291135 | false | true | false | NM | 0.001901 | 0.000012 | 0.00095 | 0 | 0 | [
"W2.50+",
"C4-",
"Ce3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250403 | YbCe2(BN2)2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.369057752552424,-0.018849584721386002,-3.29203017266202],[-0.551111558063486,3.304718284845183,-5.332890657933905],[0.012025166738127,0.018849584933192002,6.297944374669419]],"pbc":[true,true,true],"a":6.297983734085424,"b":6... | false | -18.152386 | -18.152386 | -1.550347 | 0 | true | -0.006344 | 0 | null | null | 7.913619 | false | true | true | FM | 0.753043 | 0.0067 | 0.753043 | 2 | 1 | [
"N3-",
"B+",
"Ce4+",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250404 | Er4Si4RuRh | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.042293071401525,0.004515315739222,2.52068072966699],[3.305442601259092,3.807728252160579,2.520680729681618],[0.023118176953115,0.010557953477605,9.947925330923582]],"pbc":[true,true,true],"a":5.637248544005716,"b":5.637249025... | false | -23.024622 | -23.024622 | -0.988866 | 0 | true | -0.004763 | 0 | null | null | 6.528115 | false | true | true | FM | 1.00356 | 0.005266 | 1.00356 | 4 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
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