HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=10163",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=10161",
"results": [
{
"id": "mp-1228674",
"created_at": "2022-09-04T14:40:55.238069Z",
"structure_string": "Ba8 Al4 Zn4 F36\n1.0\n5.671843 0.000000 0.000000\n0.000000 7.522415 0.000000\n0.000000 0.000000 17.877205\nBa Al Zn F\n8 4 4 36\ndirect\n0.750000 0.939659 0.783955 Ba\n0.750000 0.560341 0.283955 Ba\n0.250000 0.060341 0.216045 Ba\n0.250000 0.439659 0.716045 Ba\n0.250000 0.288856 0.464152 Ba\n0.250000 0.211144 0.964152 Ba\n0.750000 0.711144 0.535848 Ba\n0.750000 0.788856 0.035848 Ba\n0.750000 0.417274 0.874462 Al\n0.750000 0.082726 0.374462 Al\n0.250000 0.582726 0.125538 Al\n0.250000 0.917274 0.625538 Al\n0.250000 0.732671 0.911284 Zn\n0.250000 0.767329 0.411284 Zn\n0.750000 0.267329 0.088716 Zn\n0.750000 0.232671 0.588716 Zn\n0.750000 0.564911 0.795774 F\n0.750000 0.935089 0.295774 F\n0.250000 0.435089 0.204226 F\n0.250000 0.064911 0.704226 F\n0.519528 0.952704 0.423983 F\n0.980472 0.547296 0.923983 F\n0.019528 0.047296 0.576017 F\n0.480472 0.452704 0.076017 F\n0.480472 0.047296 0.576017 F\n0.019528 0.452704 0.076017 F\n0.980472 0.952704 0.423983 F\n0.519528 0.547296 0.923983 F\n0.999438 0.576874 0.418718 F\n0.500562 0.923126 0.918718 F\n0.499438 0.423126 0.581282 F\n0.000562 0.076874 0.081282 F\n0.000562 0.423126 0.581282 F\n0.499438 0.076874 0.081282 F\n0.500562 0.576874 0.418718 F\n0.999438 0.923126 0.918718 F\n0.517815 0.223934 0.336813 F\n0.982185 0.276066 0.836813 F\n0.017815 0.776066 0.663187 F\n0.482185 0.723934 0.163187 F\n0.482185 0.776066 0.663187 F\n0.017815 0.723934 0.163187 F\n0.982185 0.223934 0.336813 F\n0.517815 0.276066 0.836813 F\n0.250000 0.774689 0.537268 F\n0.250000 0.725311 0.037268 F\n0.750000 0.225311 0.462732 F\n0.750000 0.274689 0.962732 F\n0.250000 0.720712 0.802544 F\n0.250000 0.779288 0.302544 F\n0.750000 0.279288 0.197456 F\n0.750000 0.220712 0.697456 F\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Zn",
"F"
],
"chemical_system": "Al-Ba-F-Zn",
"density": 4.6852698130140675,
"density_atomic": 0.0681745426957081,
"volume": 762.7480573224825,
"volume_molar": 8.833415703101036,
"formula_full": "Ba8 Al4 Zn4 F36",
"formula_reduced": "Ba2AlZnF9",
"formula_anonymous": "ABC2D9",
"energy": -298.88232259,
"energy_per_atom": -5.747736972884615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.25032259,
"band_gap": 5.658799999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.847000Z",
"spacegroup": 62
},
{
"id": "mp-676518",
"created_at": "2022-09-04T14:40:52.407434Z",
"structure_string": "In6 Sb2 Te4\n1.0\n4.235560 0.000000 0.000000\n0.000000 4.585157 0.000000\n0.000000 0.000000 24.251585\nIn Sb Te\n6 2 4\ndirect\n0.500000 0.000000 0.691370 In\n0.000000 0.500000 0.807308 In\n0.500000 0.000000 0.192692 In\n0.000000 0.500000 0.308630 In\n0.500000 0.000000 0.435412 In\n0.000000 0.500000 0.564588 In\n0.500000 0.000000 0.315097 Sb\n0.000000 0.500000 0.684903 Sb\n0.000000 0.500000 0.182209 Te\n0.000000 0.500000 0.441734 Te\n0.500000 0.000000 0.558266 Te\n0.500000 0.000000 0.817791 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"In",
"Sb",
"Te"
],
"chemical_system": "In-Sb-Te",
"density": 5.086961869120331,
"density_atomic": 0.025478629824634894,
"volume": 470.98294070732896,
"volume_molar": 23.63604637081891,
"formula_full": "In6 Sb2 Te4",
"formula_reduced": "In3SbTe2",
"formula_anonymous": "AB2C3",
"energy": -41.079368560000006,
"energy_per_atom": -3.423280713333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.00736856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0092701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.845000Z",
"spacegroup": 59
},
{
"id": "mp-1106290",
"created_at": "2022-09-04T14:41:04.519204Z",
"structure_string": "Er8 S12\n1.0\n3.837762 0.000000 0.000000\n0.000000 10.420325 0.000000\n0.000000 0.000000 10.569625\nEr S\n8 12\ndirect\n0.250000 0.187675 0.492090 Er\n0.250000 0.312325 0.992090 Er\n0.750000 0.812325 0.507910 Er\n0.750000 0.687675 0.007910 Er\n0.750000 0.495257 0.691568 Er\n0.750000 0.004743 0.191568 Er\n0.250000 0.504743 0.308432 Er\n0.250000 0.995257 0.808432 Er\n0.250000 0.626624 0.544805 S\n0.250000 0.873376 0.044805 S\n0.750000 0.373376 0.455195 S\n0.750000 0.126624 0.955195 S\n0.750000 0.054149 0.619398 S\n0.750000 0.445851 0.119398 S\n0.250000 0.945851 0.380602 S\n0.250000 0.554149 0.880602 S\n0.250000 0.303768 0.729562 S\n0.250000 0.196232 0.229562 S\n0.750000 0.696232 0.270438 S\n0.750000 0.803768 0.770438 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Er",
"S"
],
"chemical_system": "Er-S",
"density": 6.768277973347928,
"density_atomic": 0.04731633671655414,
"volume": 422.68699117196826,
"volume_molar": 12.727402791292352,
"formula_full": "Er8 S12",
"formula_reduced": "Er2S3",
"formula_anonymous": "A2B3",
"energy": -133.26096958,
"energy_per_atom": -6.6630484789999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.22496958,
"band_gap": 0.6266999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.843000Z",
"spacegroup": 62
},
{
"id": "mp-1195758",
"created_at": "2022-09-04T14:41:01.195912Z",
"structure_string": "Y6 Ge26 Rh8\n1.0\n9.033962 0.000000 0.000000\n0.000000 9.033962 0.000000\n0.000000 0.000000 9.033962\nY Ge Rh\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Y\n0.500000 0.250000 0.000000 Y\n0.750000 0.000000 0.500000 Y\n0.000000 0.500000 0.250000 Y\n0.500000 0.750000 0.000000 Y\n0.250000 0.000000 0.500000 Y\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.809545 0.353117 0.500000 Ge\n0.646883 0.500000 0.809545 Ge\n0.500000 0.190455 0.646883 Ge\n0.190455 0.646883 0.500000 Ge\n0.353117 0.500000 0.190455 Ge\n0.500000 0.809545 0.353117 Ge\n0.809545 0.646883 0.500000 Ge\n0.646883 0.500000 0.190455 Ge\n0.190455 0.353117 0.500000 Ge\n0.353117 0.500000 0.809545 Ge\n0.500000 0.809545 0.646883 Ge\n0.500000 0.190455 0.353117 Ge\n0.309545 0.000000 0.853117 Ge\n0.146883 0.309545 0.000000 Ge\n0.000000 0.146883 0.690455 Ge\n0.690455 0.000000 0.146883 Ge\n0.853117 0.690455 0.000000 Ge\n0.000000 0.853117 0.309545 Ge\n0.309545 0.000000 0.146883 Ge\n0.146883 0.690455 0.000000 Ge\n0.690455 0.000000 0.853117 Ge\n0.853117 0.309545 0.000000 Ge\n0.000000 0.146883 0.309545 Ge\n0.000000 0.853117 0.690455 Ge\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Y",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Y",
"density": 7.309231630256277,
"density_atomic": 0.054253181747285176,
"volume": 737.2839474433515,
"volume_molar": 11.100069278980763,
"formula_full": "Y6 Ge26 Rh8",
"formula_reduced": "Y3Ge13Rh4",
"formula_anonymous": "A3B4C13",
"energy": -239.64399941,
"energy_per_atom": -5.99109998525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.64399941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0383697,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.842000Z",
"spacegroup": 223
},
{
"id": "mp-1044919",
"created_at": "2022-09-04T14:41:05.841669Z",
"structure_string": "Ca6 Ti12 O24\n1.0\n3.090994 -5.353759 0.000000\n3.090994 5.353759 0.000000\n0.000000 0.000000 15.825934\nCa Ti O\n6 12 24\ndirect\n0.333333 0.666667 0.959044 Ca\n0.000000 0.000000 0.627155 Ca\n0.666667 0.333333 0.662348 Ca\n0.666667 0.333333 0.294348 Ca\n0.000000 0.000000 0.999316 Ca\n0.000000 0.000000 0.375959 Ca\n0.344927 0.172464 0.834953 Ti\n0.827536 0.172464 0.834953 Ti\n0.011054 0.505527 0.498136 Ti\n0.827536 0.655073 0.834953 Ti\n0.494473 0.505527 0.498136 Ti\n0.333333 0.666667 0.330661 Ti\n0.333333 0.666667 0.713604 Ti\n0.663327 0.831663 0.170566 Ti\n0.494473 0.988946 0.498136 Ti\n0.168337 0.831663 0.170566 Ti\n0.168337 0.336673 0.170566 Ti\n0.666667 0.333333 0.049478 Ti\n0.699392 0.849696 0.899880 O\n0.000000 0.000000 0.767442 O\n0.150304 0.849696 0.899880 O\n0.150304 0.300608 0.899880 O\n0.359899 0.179950 0.560935 O\n0.498753 0.997506 0.755518 O\n0.666667 0.333333 0.431706 O\n0.498753 0.501247 0.755518 O\n0.666667 0.333333 0.925599 O\n0.820050 0.179950 0.560935 O\n0.820050 0.640101 0.560935 O\n0.002494 0.501247 0.755518 O\n0.045330 0.522665 0.246170 O\n0.192727 0.385454 0.417920 O\n0.192727 0.807273 0.417920 O\n0.333333 0.666667 0.102819 O\n0.333333 0.666667 0.586727 O\n0.477335 0.522665 0.246170 O\n0.477335 0.954670 0.246170 O\n0.614546 0.807273 0.417920 O\n0.830642 0.661283 0.095132 O\n0.830642 0.169358 0.095132 O\n0.000000 0.000000 0.235551 O\n0.338717 0.169358 0.095132 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.800671837620706,
"density_atomic": 0.08018496887857539,
"volume": 523.7889418352319,
"volume_molar": 7.510311276817188,
"formula_full": "Ca6 Ti12 O24",
"formula_reduced": "CaTi2O4",
"formula_anonymous": "AB2C4",
"energy": -361.83106544,
"energy_per_atom": -8.615025367619047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -345.34306544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.6155538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.842000Z",
"spacegroup": 156
},
{
"id": "mp-1078107",
"created_at": "2022-09-04T14:40:54.508345Z",
"structure_string": "Ca1 Ni5 H1\n1.0\n2.448046 -4.459768 0.000000\n2.448046 4.459768 0.000000\n0.000000 0.000000 3.901767\nCa Ni H\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.680583 0.319417 0.000000 Ni\n0.319417 0.680583 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 H\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"H"
],
"chemical_system": "Ca-H-Ni",
"density": 6.520648352791654,
"density_atomic": 0.08216273205783405,
"volume": 85.19677747659031,
"volume_molar": 7.3295283751774924,
"formula_full": "Ca1 Ni5 H1",
"formula_reduced": "CaNi5H",
"formula_anonymous": "ABC5",
"energy": -35.29911518,
"energy_per_atom": -5.0427307400000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.12011518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5397382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.842000Z",
"spacegroup": 65
},
{
"id": "mp-1103974",
"created_at": "2022-09-04T14:40:27.901663Z",
"structure_string": "La1 Mo6 S8\n1.0\n4.690592 -4.606434 0.000000\n4.690592 4.606434 0.000000\n0.166805 0.000000 6.572143\nLa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 La\n0.437645 0.579283 0.773280 Mo\n0.773280 0.437645 0.579283 Mo\n0.579283 0.773280 0.437645 Mo\n0.562355 0.420717 0.226720 Mo\n0.226720 0.562355 0.420717 Mo\n0.420717 0.226720 0.562355 Mo\n0.755848 0.755848 0.755848 S\n0.244152 0.244152 0.244152 S\n0.253302 0.872415 0.626910 S\n0.626910 0.253302 0.872415 S\n0.872415 0.626910 0.253302 S\n0.746698 0.127585 0.373090 S\n0.373090 0.746698 0.127585 S\n0.127585 0.373090 0.746698 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"La",
"Mo",
"S"
],
"chemical_system": "La-Mo-S",
"density": 5.677643205722519,
"density_atomic": 0.05281554277962513,
"volume": 284.0073056256957,
"volume_molar": 11.40221314230853,
"formula_full": "La1 Mo6 S8",
"formula_reduced": "La(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy": -121.32468688999998,
"energy_per_atom": -8.088312459333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.30068689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016878,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.838000Z",
"spacegroup": 148
},
{
"id": "mp-1226931",
"created_at": "2022-09-04T14:40:31.228763Z",
"structure_string": "Co2 Cu3 C12 N12\n1.0\n7.137492 0.000000 0.000000\n0.000000 7.137492 0.000000\n0.000000 0.000000 10.175187\nCo Cu C N\n2 3 12 12\ndirect\n0.500000 0.000000 0.750644 Co\n0.000000 0.500000 0.249356 Co\n0.500000 0.000000 0.246653 Cu\n0.000000 0.500000 0.753347 Cu\n0.500000 0.500000 0.500000 Cu\n0.184233 0.683916 0.249611 C\n0.683916 0.184233 0.750389 C\n0.500000 0.000000 0.567278 C\n0.000000 0.500000 0.065943 C\n0.815767 0.683916 0.249611 C\n0.316084 0.184233 0.750389 C\n0.500000 0.000000 0.934057 C\n0.000000 0.500000 0.432722 C\n0.184233 0.316084 0.249611 C\n0.683916 0.815767 0.750389 C\n0.815767 0.316084 0.249611 C\n0.316084 0.815767 0.750389 C\n0.301674 0.797726 0.252202 N\n0.797726 0.301674 0.747798 N\n0.500000 0.000000 0.452239 N\n0.000000 0.500000 0.951424 N\n0.698326 0.797726 0.252202 N\n0.202274 0.301674 0.747798 N\n0.500000 0.000000 0.048576 N\n0.000000 0.500000 0.547761 N\n0.301674 0.202274 0.252202 N\n0.797726 0.698326 0.747798 N\n0.698326 0.202274 0.252202 N\n0.202274 0.698326 0.747798 N\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Co",
"Cu",
"C",
"N"
],
"chemical_system": "C-Co-Cu-N",
"density": 1.988412127099242,
"density_atomic": 0.055945393064742596,
"volume": 518.3626105985145,
"volume_molar": 10.764319330156285,
"formula_full": "Co2 Cu3 C12 N12",
"formula_reduced": "Co2Cu3(CN)12",
"formula_anonymous": "A2B3C12D12",
"energy": -224.52551341,
"energy_per_atom": -7.742259083103448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.19351341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9856038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.838000Z",
"spacegroup": 115
},
{
"id": "mp-1236205",
"created_at": "2022-09-04T14:40:11.888321Z",
"structure_string": "Li1 Al4 Zn2 O8\n1.0\n5.747650 -0.074999 -0.002708\n2.805881 5.268581 -0.144481\n2.849963 1.597981 4.729195\nLi Al Zn O\n1 4 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.140390 0.050722 0.140390 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.859610 0.949278 0.859610 Al\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.263558 0.201440 0.263558 O\n0.269870 0.245873 0.741377 O\n0.279289 0.700287 0.279289 O\n0.741377 0.245873 0.269870 O\n0.258623 0.754127 0.730130 O\n0.720711 0.299713 0.720711 O\n0.730130 0.754127 0.258623 O\n0.736442 0.798560 0.736442 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Al",
"Zn",
"O"
],
"chemical_system": "Al-Li-O-Zn",
"density": 4.2620164982621915,
"density_atomic": 0.10302841578623403,
"volume": 145.5909021363813,
"volume_molar": 5.845126040271153,
"formula_full": "Li1 Al4 Zn2 O8",
"formula_reduced": "LiAl4Zn2O8",
"formula_anonymous": "AB2C4D8",
"energy": -96.70243889,
"energy_per_atom": -6.446829259333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.20643889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0162497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.836000Z",
"spacegroup": 12
},
{
"id": "mp-2324",
"created_at": "2022-09-04T14:40:28.093825Z",
"structure_string": "Pr1 Cd2\n1.0\n2.560132 -4.434279 0.000000\n2.560132 4.434279 0.000000\n0.000000 0.000000 3.503320\nPr Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.635088769088206,
"density_atomic": 0.03771603912761834,
"volume": 79.54175648850646,
"volume_molar": 15.967055129047642,
"formula_full": "Pr1 Cd2",
"formula_reduced": "PrCd2",
"formula_anonymous": "AB2",
"energy": -7.64996774,
"energy_per_atom": -2.5499892466666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.64996774,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0934492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.834000Z",
"spacegroup": 191
},
{
"id": "mp-1210005",
"created_at": "2022-09-04T14:40:27.630343Z",
"structure_string": "Np2 Se2 O1\n1.0\n3.148461 0.000000 0.000000\n0.000000 3.148461 0.000000\n0.000000 0.000000 13.129669\nNp Se O\n2 2 1\ndirect\n0.500000 0.500000 0.156646 Np\n0.500000 0.500000 0.843354 Np\n0.500000 0.500000 0.636758 Se\n0.500000 0.500000 0.363242 Se\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Se",
"O"
],
"chemical_system": "Np-O-Se",
"density": 8.266461882161844,
"density_atomic": 0.03841665881493646,
"volume": 130.15187041867347,
"volume_molar": 15.675857676770635,
"formula_full": "Np2 Se2 O1",
"formula_reduced": "Np2Se2O",
"formula_anonymous": "AB2C2",
"energy": -41.09703765,
"energy_per_atom": -8.21940753,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.46603765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1769146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.832000Z",
"spacegroup": 123
},
{
"id": "mp-979288",
"created_at": "2022-09-04T14:40:26.621339Z",
"structure_string": "Ta2 Nb1 Rh1\n1.0\n0.000000 3.241626 3.241626\n3.241626 0.000000 3.241626\n3.241626 3.241626 0.000000\nTa Nb Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ta\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Rh"
],
"chemical_system": "Nb-Rh-Ta",
"density": 13.593677883040893,
"density_atomic": 0.05871394674533144,
"volume": 68.12691399114733,
"volume_molar": 10.256746639977564,
"formula_full": "Ta2 Nb1 Rh1",
"formula_reduced": "Ta2NbRh",
"formula_anonymous": "ABC2",
"energy": -42.22178377,
"energy_per_atom": -10.5554459425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.22178377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003614,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.832000Z",
"spacegroup": 225
}
]
}