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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10197",
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"results": [
{
"id": "mp-1218237",
"created_at": "2022-09-04T14:43:58.169437Z",
"structure_string": "Sr1 La1 Fe2 O6\n1.0\n2.793637 1.612025 4.504126\n-2.792566 1.612181 4.503405\n0.000671 -3.225351 4.504176\nSr La Fe O\n1 1 2 6\ndirect\n0.249996 0.250000 0.250003 Sr\n0.750010 0.749997 0.749992 La\n0.500168 0.500160 0.500171 Fe\n0.999829 0.999841 0.999831 Fe\n0.706548 0.793450 0.249999 O\n0.793463 0.249999 0.706540 O\n0.250002 0.706546 0.793454 O\n0.189517 0.750001 0.310481 O\n0.750001 0.310466 0.189531 O\n0.310465 0.189540 0.749999 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-La-O-Sr",
"density": 5.924180378610537,
"density_atomic": 0.08216322630689875,
"volume": 121.70894997048528,
"volume_molar": 7.329484284740602,
"formula_full": "Sr1 La1 Fe2 O6",
"formula_reduced": "SrLa(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -78.58337893,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.833000Z",
"spacegroup": 155
},
{
"id": "mp-1279034",
"created_at": "2022-09-04T14:43:21.911392Z",
"structure_string": "Sr2 La2 Fe4 O12\n1.0\n2.771073 1.598480 4.463156\n-5.633755 -3.311645 4.560570\n2.750562 -4.820010 0.021423\nSr La Fe O\n2 2 4 12\ndirect\n0.499569 0.250764 0.000993 Sr\n0.999568 0.750733 0.500947 Sr\n0.500712 0.749027 0.001710 La\n0.000768 0.249078 0.501639 La\n0.500218 0.000341 0.500369 Fe\n0.999708 0.999819 0.000686 Fe\n0.000222 0.500350 0.000327 Fe\n0.499735 0.499833 0.500736 Fe\n0.223762 0.523352 0.732957 O\n0.723723 0.023348 0.232945 O\n0.267284 0.476764 0.222623 O\n0.767296 0.976704 0.722606 O\n0.000188 0.756401 0.044718 O\n0.500129 0.256406 0.544768 O\n0.724424 0.530628 0.785132 O\n0.224380 0.030661 0.285157 O\n0.000198 0.243628 0.936512 O\n0.500176 0.743631 0.436538 O\n0.783960 0.469307 0.274295 O\n0.283981 0.969223 0.774343 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-La-O-Sr",
"density": 5.938966636905474,
"density_atomic": 0.0823682988416422,
"volume": 242.8118618602425,
"volume_molar": 7.311236051600279,
"formula_full": "Sr2 La2 Fe4 O12",
"formula_reduced": "SrLa(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -157.12448532,
"energy_per_atom": -7.856224266,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -139.85648532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.229000Z",
"spacegroup": 5
},
{
"id": "mp-1218176",
"created_at": "2022-09-04T14:46:22.912147Z",
"structure_string": "Sr2 La2 Fe2 O8\n1.0\n2.781646 -6.331655 0.000000\n2.781646 6.331655 0.000000\n0.000000 0.000000 5.571260\nSr La Fe O\n2 2 2 8\ndirect\n0.605890 0.394110 0.250000 Sr\n0.394110 0.605890 0.750000 Sr\n0.110367 0.889633 0.750000 La\n0.889633 0.110367 0.250000 La\n0.255129 0.744871 0.250000 Fe\n0.744871 0.255129 0.750000 Fe\n0.927900 0.072100 0.750000 O\n0.414574 0.585426 0.250000 O\n0.072100 0.927900 0.250000 O\n0.585426 0.414574 0.750000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"La",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr",
"density": 5.8615762374975935,
"density_atomic": 0.07133875253835105,
"volume": 196.2467733434746,
"volume_molar": 8.441612091215855,
"formula_full": "Sr2 La2 Fe2 O8",
"formula_reduced": "SrLaFeO4",
"formula_anonymous": "ABCD4",
"energy": -110.30763392,
"energy_per_atom": -7.879116708571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.29963392,
"band_gap": 0.6280999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.094000Z",
"spacegroup": 63
},
{
"id": "mp-1218154",
"created_at": "2022-09-04T14:47:55.902636Z",
"structure_string": "Sr1 La1 Fe1 O4\n1.0\n-1.968579 1.968579 6.302072\n1.968579 -1.968579 6.302072\n1.968579 1.968579 -6.302072\nSr La Fe O\n1 1 1 4\ndirect\n0.642009 0.642009 0.000000 Sr\n0.358317 0.358317 0.000000 La\n0.004177 0.004177 0.000000 Fe\n0.833462 0.833462 0.000000 O\n0.172627 0.172627 0.000000 O\n0.994704 0.494704 0.500000 O\n0.494704 0.994704 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"La",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr",
"density": 5.887594614670473,
"density_atomic": 0.07165541114610088,
"volume": 97.68976115045156,
"volume_molar": 8.404307035125699,
"formula_full": "Sr1 La1 Fe1 O4",
"formula_reduced": "SrLaFeO4",
"formula_anonymous": "ABCD4",
"energy": -55.2073373,
"energy_per_atom": -7.886762471428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -50.2033373,
"band_gap": 0.5591999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0028359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.755000Z",
"spacegroup": 107
},
{
"id": "mp-697833",
"created_at": "2022-09-04T14:41:01.788609Z",
"structure_string": "Sr2 La2 Fe2 Ru2 O12\n1.0\n5.638688 0.000000 0.000000\n0.000000 5.634577 0.000000\n0.000000 5.617743 7.927011\nSr La Fe Ru O\n2 2 2 2 12\ndirect\n0.275831 0.755714 0.249455 Sr\n0.724169 0.755714 0.749455 Sr\n0.784621 0.239931 0.249736 La\n0.215379 0.239931 0.749736 La\n0.252730 0.499897 0.999849 Fe\n0.747270 0.499897 0.499849 Fe\n0.251127 0.000126 0.500060 Ru\n0.748873 0.000126 0.000060 Ru\n0.741145 0.667755 0.249505 O\n0.468219 0.237972 0.541707 O\n0.469392 0.825293 0.957638 O\n0.980131 0.189327 0.539331 O\n0.978203 0.768429 0.961861 O\n0.235033 0.315555 0.250859 O\n0.258855 0.667755 0.749505 O\n0.531781 0.237972 0.041707 O\n0.530608 0.825293 0.457638 O\n0.019869 0.189327 0.039331 O\n0.021797 0.768429 0.461861 O\n0.764967 0.315555 0.750859 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-La-O-Ru-Sr",
"density": 6.322104623868752,
"density_atomic": 0.07941108900853111,
"volume": 251.85399482245364,
"volume_molar": 7.583501038945635,
"formula_full": "Sr2 La2 Fe2 Ru2 O12",
"formula_reduced": "SrLaFeRuO6",
"formula_anonymous": "ABCDE6",
"energy": -158.40456244,
"energy_per_atom": -7.920228122,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -145.64856244,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 14.0016764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.193000Z",
"spacegroup": 7
},
{
"id": "mp-1173171",
"created_at": "2022-09-04T14:46:11.190189Z",
"structure_string": "Sr4 La4 Fe4 Sn4 O24\n1.0\n0.010805 0.000352 -8.063507\n-5.691735 -5.745190 0.007924\n-5.687830 5.741317 0.007428\nSr La Fe Sn O\n4 4 4 4 24\ndirect\n0.749593 0.488913 0.016809 Sr\n0.749598 0.988914 0.516806 Sr\n0.249603 0.016784 0.988940 Sr\n0.249592 0.516786 0.488938 Sr\n0.750338 0.973299 0.014989 La\n0.750346 0.473296 0.514993 La\n0.250340 0.515055 0.973224 La\n0.250327 0.015059 0.473233 La\n0.999505 0.248479 0.750718 Fe\n0.499510 0.750717 0.748479 Fe\n0.999513 0.748478 0.250715 Fe\n0.499510 0.250715 0.248483 Fe\n0.499818 0.747700 0.251707 Sn\n0.499821 0.247696 0.751704 Sn\n0.999833 0.251709 0.247696 Sn\n0.999831 0.751708 0.747702 Sn\n0.747439 0.212956 0.196628 O\n0.747440 0.712957 0.696627 O\n0.247435 0.696624 0.212903 O\n0.247434 0.196626 0.712908 O\n0.753148 0.297583 0.772478 O\n0.753147 0.797583 0.272475 O\n0.253140 0.772492 0.797608 O\n0.253139 0.272490 0.297609 O\n0.954500 0.503081 0.291762 O\n0.954497 0.003083 0.791762 O\n0.454573 0.291676 0.003062 O\n0.454571 0.791676 0.503064 O\n0.541063 0.721671 0.997493 O\n0.541064 0.221672 0.497497 O\n0.041143 0.497509 0.721640 O\n0.041144 0.997509 0.221645 O\n0.459275 0.502182 0.722330 O\n0.459273 0.002182 0.222332 O\n0.959386 0.722348 0.002194 O\n0.959389 0.222347 0.502198 O\n0.045146 0.291987 0.997235 O\n0.045143 0.791984 0.497236 O\n0.545219 0.497237 0.292090 O\n0.545215 0.997237 0.792091 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-La-O-Sn-Sr",
"density": 6.265069107307203,
"density_atomic": 0.07590199891692789,
"volume": 526.9953436111559,
"volume_molar": 7.934100347727369,
"formula_full": "Sr4 La4 Fe4 Sn4 O24",
"formula_reduced": "SrLaFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -304.41394721,
"energy_per_atom": -7.61034868025,
"energy_above_hull": null,
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"energy_uncorrected": -278.90194721,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.832000Z",
"spacegroup": 7
},
{
"id": "mp-1218197",
"created_at": "2022-09-04T14:42:49.368714Z",
"structure_string": "Sr2 La2 Ga6 O14\n1.0\n5.740063 -5.751960 0.000000\n5.740063 5.751960 0.000000\n0.000000 0.000000 5.389463\nSr La Ga O\n2 2 6 14\ndirect\n0.161982 0.838018 0.490428 Sr\n0.838018 0.161982 0.490428 Sr\n0.664050 0.664050 0.509625 La\n0.335950 0.335950 0.509625 La\n0.500000 0.000000 0.999250 Ga\n0.000000 0.500000 0.999250 Ga\n0.356994 0.643006 0.032845 Ga\n0.856518 0.856518 0.967061 Ga\n0.643006 0.356994 0.032845 Ga\n0.143482 0.143482 0.967061 Ga\n0.369521 0.630479 0.694740 O\n0.851472 0.851472 0.304325 O\n0.630479 0.369521 0.694740 O\n0.148528 0.148528 0.304325 O\n0.417690 0.835032 0.202290 O\n0.907088 0.660364 0.794483 O\n0.582310 0.164968 0.202290 O\n0.092912 0.339636 0.794483 O\n0.339636 0.092912 0.794483 O\n0.835032 0.417690 0.202290 O\n0.660364 0.907088 0.794483 O\n0.164968 0.582310 0.202290 O\n0.000000 0.000000 0.814774 O\n0.500000 0.500000 0.201587 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ga",
"O"
],
"chemical_system": "Ga-La-O-Sr",
"density": 5.111002719184979,
"density_atomic": 0.06743777531847257,
"volume": 355.8836258559958,
"volume_molar": 8.929922037849925,
"formula_full": "Sr2 La2 Ga6 O14",
"formula_reduced": "SrLaGa3O7",
"formula_anonymous": "ABC3D7",
"energy": -169.3400404,
"energy_per_atom": -7.055835016666666,
"energy_above_hull": null,
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"energy_uncorrected": -159.7220404,
"band_gap": 3.2781,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.762000Z",
"spacegroup": 35
},
{
"id": "mp-1218226",
"created_at": "2022-09-04T14:43:08.804994Z",
"structure_string": "Sr2 La2 Ga2 Cu2 O10\n1.0\n8.336897 3.872227 0.000000\n-8.336897 3.872227 0.000000\n0.000000 3.696267 3.872508\nSr La Ga Cu O\n2 2 2 2 10\ndirect\n0.401507 0.122879 0.489964 Sr\n0.122879 0.401507 0.489964 Sr\n0.574231 0.869263 0.530812 La\n0.869263 0.574231 0.530812 La\n0.184354 0.184354 0.111120 Ga\n0.817878 0.817878 0.971531 Ga\n0.497292 0.996360 0.003237 Cu\n0.996360 0.497292 0.003237 Cu\n0.869109 0.869109 0.282445 O\n0.129012 0.129012 0.517571 O\n0.420505 0.225666 0.903077 O\n0.600452 0.801765 0.021034 O\n0.225666 0.420505 0.903077 O\n0.801765 0.600452 0.021034 O\n0.753563 0.244859 0.502834 O\n0.240479 0.750827 0.005709 O\n0.244859 0.753563 0.502834 O\n0.750827 0.240479 0.005709 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
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"La",
"Ga",
"Cu",
"O"
],
"chemical_system": "Cu-Ga-La-O-Sr",
"density": 5.841687634756006,
"density_atomic": 0.07199211640495999,
"volume": 250.02737659147172,
"volume_molar": 8.365000309374288,
"formula_full": "Sr2 La2 Ga2 Cu2 O10",
"formula_reduced": "SrLaGaCuO5",
"formula_anonymous": "ABCDE5",
"energy": -124.58006425,
"energy_per_atom": -6.921114680555556,
"energy_above_hull": null,
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"energy_uncorrected": -117.71006425,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.817000Z",
"spacegroup": 8
},
{
"id": "mp-1173173",
"created_at": "2022-09-04T14:47:54.885290Z",
"structure_string": "Sr2 La2 Ga2 Cu2 O10\n1.0\n4.998194 -0.166745 -1.971719\n-0.674753 5.192027 -2.119999\n0.689165 0.759790 9.127506\nSr La Ga Cu O\n2 2 2 2 10\ndirect\n0.344763 0.370163 0.776708 Sr\n0.845931 0.905983 0.776678 Sr\n0.066638 0.083584 0.208613 La\n0.565162 0.625291 0.208052 La\n0.240412 0.686647 0.500284 Ga\n0.739677 0.313635 0.500171 Ga\n0.453260 0.998457 0.992375 Cu\n0.952174 0.493828 0.992221 Cu\n0.210878 0.742545 0.998183 O\n0.083014 0.370492 0.484970 O\n0.066277 0.734172 0.307738 O\n0.283404 0.903266 0.701136 O\n0.219310 0.264003 0.028413 O\n0.711241 0.755739 0.999062 O\n0.583417 0.614192 0.484687 O\n0.564591 0.073969 0.307086 O\n0.780408 0.296516 0.700839 O\n0.721442 0.267519 0.032785 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Cu-Ga-La-O-Sr",
"density": 5.791381586197543,
"density_atomic": 0.07137215191350944,
"volume": 252.19920539614455,
"volume_molar": 8.437661746976302,
"formula_full": "Sr2 La2 Ga2 Cu2 O10",
"formula_reduced": "SrLaGaCuO5",
"formula_anonymous": "ABCDE5",
"energy": -124.75254341,
"energy_per_atom": -6.930696856111111,
"energy_above_hull": null,
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"energy_uncorrected": -117.88254341,
"band_gap": 0.0,
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"total_magnetization": 0.007681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.878000Z",
"spacegroup": 9
},
{
"id": "mp-1218152",
"created_at": "2022-09-04T14:47:16.596826Z",
"structure_string": "Sr1 La1 Ga1 O4\n1.0\n-1.949933 1.949933 6.295103\n1.949933 -1.949933 6.295103\n1.949933 1.949933 -6.295103\nSr La Ga O\n1 1 1 4\ndirect\n0.641764 0.641764 0.000000 Sr\n0.357920 0.357920 0.000000 La\n0.004590 0.004590 0.000000 Ga\n0.994913 0.494913 0.500000 O\n0.494913 0.994913 0.500000 O\n0.835076 0.835076 0.000000 O\n0.170824 0.170824 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ga-La-O-Sr",
"density": 6.248073633508095,
"density_atomic": 0.07311320631196168,
"volume": 95.74193710137926,
"volume_molar": 8.23673459799389,
"formula_full": "Sr1 La1 Ga1 O4",
"formula_reduced": "SrLaGaO4",
"formula_anonymous": "ABCD4",
"energy": -51.20919826,
"energy_per_atom": -7.3155997514285716,
"energy_above_hull": null,
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"energy_uncorrected": -48.46119826,
"band_gap": 3.3365,
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"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.609000Z",
"spacegroup": 107
},
{
"id": "mp-1187186",
"created_at": "2022-09-04T14:43:55.862566Z",
"structure_string": "Sr1 La1 Hg2\n1.0\n0.000000 3.955176 3.955176\n3.955176 0.000000 3.955176\n3.955176 3.955176 0.000000\nSr La Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg"
],
"chemical_system": "Hg-La-Sr",
"density": 8.423208941249912,
"density_atomic": 0.032324554962139984,
"volume": 123.74493646347136,
"volume_molar": 18.63023564300703,
"formula_full": "Sr1 La1 Hg2",
"formula_reduced": "SrLaHg2",
"formula_anonymous": "ABC2",
"energy": -9.34138204,
"energy_per_atom": -2.33534551,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.34138204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.170000Z",
"spacegroup": 225
},
{
"id": "mp-30110",
"created_at": "2022-09-04T14:46:04.848265Z",
"structure_string": "Sr2 La2 I8\n1.0\n7.530683 5.181054 0.000000\n-7.530683 5.181054 0.000000\n0.000000 4.333763 6.204883\nSr La I\n2 2 8\ndirect\n0.634841 0.365159 0.750000 Sr\n0.365159 0.634841 0.250000 Sr\n0.999646 0.000354 0.250000 La\n0.000354 0.999646 0.750000 La\n0.946265 0.299748 0.412271 I\n0.700252 0.053735 0.087729 I\n0.053735 0.700252 0.587729 I\n0.299748 0.946265 0.912271 I\n0.365738 0.242758 0.262559 I\n0.757242 0.634262 0.237441 I\n0.634262 0.757242 0.737441 I\n0.242758 0.365739 0.762559 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"La",
"I"
],
"chemical_system": "I-La-Sr",
"density": 5.035514889953317,
"density_atomic": 0.02478364434699652,
"volume": 484.19029227452,
"volume_molar": 24.29885078918917,
"formula_full": "Sr2 La2 I8",
"formula_reduced": "SrLaI4",
"formula_anonymous": "ABC4",
"energy": -47.09740331,
"energy_per_atom": -3.9247836091666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.06540331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.52e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.578000Z",
"spacegroup": 15
}
]
}