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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10386",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10384",
"results": [
{
"id": "mp-1073483",
"created_at": "2022-09-04T14:42:50.026094Z",
"structure_string": "Mg4 Si8\n1.0\n5.249102 0.000000 0.000000\n-2.549531 5.077524 0.000000\n-2.012295 -1.508220 8.507181\nMg Si\n4 8\ndirect\n0.564708 0.153961 0.773816 Mg\n0.264889 0.915302 0.270661 Mg\n0.568459 0.504655 0.227660 Mg\n0.033559 0.583540 0.560940 Mg\n0.692781 0.048331 0.114733 Si\n0.730220 0.709572 0.951768 Si\n0.597329 0.822952 0.536978 Si\n0.915080 0.066958 0.384162 Si\n0.203674 0.430721 0.838616 Si\n0.012956 0.469297 0.058661 Si\n0.430869 0.344267 0.507625 Si\n0.985476 0.949674 0.774612 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3575059681958512,
"density_atomic": 0.05292472086555654,
"volume": 226.7371429408825,
"volume_molar": 11.378691585918622,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.718251470000006,
"energy_per_atom": -3.9765209558333336,
"energy_above_hull": null,
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"energy_uncorrected": -48.28625147,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0124999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.449000Z",
"spacegroup": 1
},
{
"id": "mp-1074094",
"created_at": "2022-09-04T14:42:55.831489Z",
"structure_string": "Mg8 Si14\n1.0\n-4.277636 0.000000 0.000000\n-0.010527 -6.824246 0.000000\n1.766603 0.673213 13.884338\nMg Si\n8 14\ndirect\n0.110926 0.924759 0.083611 Mg\n0.292415 0.680540 0.489672 Mg\n0.863988 0.874530 0.656210 Mg\n0.725560 0.480981 0.341835 Mg\n0.145178 0.462487 0.160203 Mg\n0.922660 0.395110 0.785512 Mg\n0.824428 0.370806 0.567689 Mg\n0.756342 0.983948 0.412980 Mg\n0.585692 0.619965 0.035682 Si\n0.591039 0.263900 0.038233 Si\n0.056327 0.220984 0.954297 Si\n0.049498 0.621655 0.946966 Si\n0.263614 0.297328 0.431303 Si\n0.315598 0.057145 0.550678 Si\n0.492033 0.730284 0.833827 Si\n0.658570 0.135246 0.196903 Si\n0.204299 0.772438 0.297282 Si\n0.007949 0.917524 0.857629 Si\n0.376705 0.572839 0.673155 Si\n0.663883 0.769737 0.199480 Si\n0.191640 0.128302 0.278303 Si\n0.394309 0.215835 0.704948 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4075457732677576,
"density_atomic": 0.05427989555303383,
"volume": 405.3066015667816,
"volume_molar": 11.094606389056343,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -84.96560757,
"energy_per_atom": -3.8620730713636364,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -85.95960757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.679000Z",
"spacegroup": 1
},
{
"id": "mp-1075430",
"created_at": "2022-09-04T14:42:49.878444Z",
"structure_string": "Mg10 Si12\n1.0\n2.079131 14.483694 0.000000\n-2.079131 14.483694 0.000000\n0.000000 0.392008 6.827960\nMg Si\n10 12\ndirect\n0.367867 0.367867 0.159775 Mg\n0.632133 0.632133 0.840225 Mg\n0.201633 0.201633 0.012509 Mg\n0.042695 0.042695 0.676391 Mg\n0.957305 0.957305 0.323609 Mg\n0.798367 0.798367 0.987491 Mg\n0.163293 0.163293 0.518258 Mg\n0.081297 0.081297 0.172447 Mg\n0.918703 0.918703 0.827553 Mg\n0.836707 0.836707 0.481742 Mg\n0.345675 0.345675 0.785932 Si\n0.400411 0.400411 0.512854 Si\n0.599589 0.599589 0.487146 Si\n0.654325 0.654325 0.214068 Si\n0.274909 0.274909 0.291946 Si\n0.458260 0.458260 0.023195 Si\n0.474036 0.474036 0.657541 Si\n0.725091 0.725091 0.708054 Si\n0.269956 0.269956 0.657872 Si\n0.525964 0.525964 0.342459 Si\n0.541740 0.541740 0.976805 Si\n0.730044 0.730044 0.342128 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.34235025522384,
"density_atomic": 0.05349836658010353,
"volume": 411.22750854569034,
"volume_molar": 11.256681549301137,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -78.89228566,
"energy_per_atom": -3.5860129845454547,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.74428566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005788,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.403000Z",
"spacegroup": 12
},
{
"id": "mp-1074472",
"created_at": "2022-09-04T14:42:51.012873Z",
"structure_string": "Mg8 Si6\n1.0\n5.251315 0.000000 0.000000\n-1.289988 6.975666 0.000000\n-1.730997 -1.460327 7.340403\nMg Si\n8 6\ndirect\n0.014910 0.190987 0.837527 Mg\n0.570890 0.118299 0.043103 Mg\n0.787671 0.361486 0.458671 Mg\n0.329085 0.634507 0.489409 Mg\n0.518828 0.578754 0.153942 Mg\n0.368019 0.077155 0.600486 Mg\n0.044369 0.881071 0.187945 Mg\n0.147264 0.654156 0.833526 Mg\n0.691400 0.808178 0.819122 Si\n0.588608 0.431450 0.816603 Si\n0.220779 0.273009 0.256372 Si\n0.895741 0.809683 0.552868 Si\n0.965033 0.481152 0.104457 Si\n0.607554 0.950203 0.346090 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2414333814826706,
"density_atomic": 0.05206602029729074,
"volume": 268.88938159785744,
"volume_molar": 11.56635503465465,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -44.24825819,
"energy_per_atom": -3.160589870714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -44.67425819,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.167000Z",
"spacegroup": 1
},
{
"id": "mp-1074008",
"created_at": "2022-09-04T14:42:49.512044Z",
"structure_string": "Mg18 Si10\n1.0\n7.131634 0.000000 0.000000\n-3.461234 6.261588 0.000000\n-0.138236 -1.571991 12.382094\nMg Si\n18 10\ndirect\n0.567144 0.447065 0.353496 Mg\n0.892669 0.229127 0.356338 Mg\n0.098765 0.764172 0.357424 Mg\n0.527536 0.098615 0.503424 Mg\n0.786637 0.810693 0.181101 Mg\n0.790973 0.859779 0.526789 Mg\n0.801478 0.777900 0.850692 Mg\n0.556237 0.405050 0.020520 Mg\n0.161889 0.300401 0.873533 Mg\n0.153915 0.887347 0.663239 Mg\n0.367964 0.990502 0.884302 Mg\n0.803775 0.141805 0.020996 Mg\n0.984563 0.312300 0.656838 Mg\n0.053338 0.647517 0.011423 Mg\n0.522242 0.390737 0.680599 Mg\n0.241321 0.481356 0.178557 Mg\n0.300594 0.596746 0.522929 Mg\n0.458993 0.019323 0.180367 Mg\n0.142319 0.070632 0.047605 Si\n0.598839 0.990609 0.698563 Si\n0.196236 0.174924 0.498297 Si\n0.178581 0.126989 0.269436 Si\n0.768592 0.333671 0.844020 Si\n0.517063 0.806111 0.349067 Si\n0.470889 0.729093 0.005859 Si\n0.830945 0.440423 0.185769 Si\n0.863916 0.518679 0.521182 Si\n0.362445 0.648594 0.757887 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1573198458118155,
"density_atomic": 0.05063961548401911,
"volume": 552.9267892809388,
"volume_molar": 11.892153410802404,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -83.15196112000001,
"energy_per_atom": -2.9697128971428577,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.86196112,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0057706,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.969000Z",
"spacegroup": 1
},
{
"id": "mp-1073916",
"created_at": "2022-09-04T14:42:55.098242Z",
"structure_string": "Mg12 Si10\n1.0\n4.509935 0.000000 0.000000\n-0.108074 6.799803 0.000000\n-0.605106 -0.055147 13.860376\nMg Si\n12 10\ndirect\n0.201713 0.306314 0.028082 Mg\n0.751529 0.323169 0.492431 Mg\n0.248295 0.517374 0.347942 Mg\n0.223050 0.181699 0.646336 Mg\n0.521334 0.813655 0.804003 Mg\n0.710978 0.524545 0.166187 Mg\n0.230338 0.016715 0.414188 Mg\n0.289540 0.627514 0.568543 Mg\n0.026883 0.055724 0.861860 Mg\n0.707728 0.029348 0.104147 Mg\n0.195963 0.768350 0.017706 Mg\n0.087000 0.504555 0.832796 Mg\n0.706621 0.961038 0.572770 Si\n0.759805 0.713915 0.448055 Si\n0.222715 0.831495 0.212604 Si\n0.669473 0.532546 0.964799 Si\n0.729042 0.446890 0.681009 Si\n0.736962 0.217061 0.300730 Si\n0.218914 0.201441 0.214086 Si\n0.985844 0.800409 0.703493 Si\n0.549164 0.271227 0.830271 Si\n0.727315 0.851323 0.291601 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2366310105072453,
"density_atomic": 0.05175842538945325,
"volume": 425.05157053102533,
"volume_molar": 11.635092672713194,
"formula_full": "Mg12 Si10",
"formula_reduced": "Mg6Si5",
"formula_anonymous": "A5B6",
"energy": -70.9301978,
"energy_per_atom": -3.2240999,
"energy_above_hull": null,
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"energy_uncorrected": -71.6401978,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.682000Z",
"spacegroup": 1
},
{
"id": "mp-1073326",
"created_at": "2022-09-04T14:42:50.595517Z",
"structure_string": "Mg8 Si16\n1.0\n5.675003 0.000000 0.000000\n-1.697413 7.518727 0.000000\n-1.478884 -1.157727 9.811995\nMg Si\n8 16\ndirect\n0.792672 0.424612 0.860777 Mg\n0.207328 0.575388 0.139223 Mg\n0.221773 0.932273 0.490742 Mg\n0.409013 0.263298 0.327141 Mg\n0.235857 0.362775 0.633012 Mg\n0.764143 0.637225 0.366988 Mg\n0.590987 0.736702 0.672859 Mg\n0.778227 0.067727 0.509258 Mg\n0.660597 0.970580 0.938017 Si\n0.954588 0.334396 0.339462 Si\n0.289317 0.599697 0.418401 Si\n0.647062 0.376509 0.116454 Si\n0.542894 0.085646 0.728183 Si\n0.740052 0.697731 0.065472 Si\n0.352938 0.623491 0.883546 Si\n0.974642 0.193316 0.094308 Si\n0.045412 0.665604 0.660538 Si\n0.259948 0.302269 0.934528 Si\n0.025358 0.806684 0.905692 Si\n0.457106 0.914354 0.271817 Si\n0.114275 0.051701 0.747396 Si\n0.710683 0.400303 0.581599 Si\n0.885725 0.948299 0.252604 Si\n0.339403 0.029420 0.061983 Si\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5535110207621705,
"density_atomic": 0.05732492720024074,
"volume": 418.6660353909566,
"volume_molar": 10.50527415231451,
"formula_full": "Mg8 Si16",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -94.37391055,
"energy_per_atom": -3.9322462729166667,
"energy_above_hull": null,
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"energy_uncorrected": -95.50991055,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0121858,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.386000Z",
"spacegroup": 2
},
{
"id": "mp-1100459",
"created_at": "2022-09-04T14:42:56.142740Z",
"structure_string": "Mg2 Si4\n1.0\n-2.309454 2.753772 3.788359\n2.309454 -2.753772 3.788359\n2.309454 2.753772 -3.788359\nMg Si\n2 4\ndirect\n0.753622 0.003622 0.750000 Mg\n0.246378 0.996378 0.250000 Mg\n0.172518 0.666975 0.505544 Si\n0.661431 0.666975 0.994456 Si\n0.338569 0.333025 0.005544 Si\n0.827482 0.333025 0.494456 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.773301329811924,
"density_atomic": 0.06225909954692395,
"volume": 96.37145483413025,
"volume_molar": 9.672707770951915,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -23.63432337,
"energy_per_atom": -3.9390538950000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.91832337,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0008705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.276000Z",
"spacegroup": 74
},
{
"id": "mp-1073812",
"created_at": "2022-09-04T14:42:56.294745Z",
"structure_string": "Mg6 Si6\n1.0\n4.750796 0.000000 0.000000\n-1.525690 5.062115 0.000000\n-2.274063 -1.482144 9.687339\nMg Si\n6 6\ndirect\n0.707546 0.323479 0.564668 Mg\n0.174314 0.228217 0.859114 Mg\n0.509017 0.146144 0.248304 Mg\n0.292454 0.676521 0.435332 Mg\n0.825686 0.771783 0.140886 Mg\n0.490983 0.853856 0.751696 Mg\n0.073443 0.126898 0.409468 Si\n0.265514 0.541718 0.163386 Si\n0.226854 0.774227 0.966388 Si\n0.734486 0.458282 0.836614 Si\n0.926557 0.873102 0.590532 Si\n0.773146 0.225773 0.033612 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.240526082784241,
"density_atomic": 0.05150843550506647,
"volume": 232.97154887998212,
"volume_molar": 11.69156217025394,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -41.02927774,
"energy_per_atom": -3.419106478333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -41.45527774,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0211927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.804000Z",
"spacegroup": 2
},
{
"id": "mp-1074518",
"created_at": "2022-09-04T14:42:54.850717Z",
"structure_string": "Mg8 Si6\n1.0\n5.203426 0.000000 0.000000\n-1.484916 7.043513 0.000000\n-1.573567 -0.919346 7.522375\nMg Si\n8 6\ndirect\n0.054933 0.223332 0.856057 Mg\n0.580045 0.122052 0.055356 Mg\n0.842467 0.307510 0.451216 Mg\n0.409849 0.587815 0.502359 Mg\n0.489290 0.582211 0.117194 Mg\n0.403275 0.058139 0.621036 Mg\n0.017179 0.877915 0.206379 Mg\n0.102272 0.660225 0.784863 Mg\n0.666642 0.819188 0.840511 Si\n0.589953 0.416549 0.807732 Si\n0.205673 0.267070 0.234252 Si\n0.878483 0.922507 0.601551 Si\n0.952454 0.494955 0.087714 Si\n0.557636 0.910622 0.333900 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1860787615921766,
"density_atomic": 0.05078019365324352,
"volume": 275.69804273690016,
"volume_molar": 11.859231575843632,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -44.2972947,
"energy_per_atom": -3.164092478571429,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -44.7232947,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.951000Z",
"spacegroup": 1
},
{
"id": "mp-1074338",
"created_at": "2022-09-04T14:43:21.403753Z",
"structure_string": "Mg8 Si6\n1.0\n5.218552 0.032135 -2.040049\n-1.594172 6.298314 -4.003401\n0.048120 -0.052026 8.027995\nMg Si\n8 6\ndirect\n0.638401 0.506103 0.822684 Mg\n0.547580 0.994770 0.043211 Mg\n0.495498 0.932579 0.377713 Mg\n0.991381 0.953202 0.365681 Mg\n0.603541 0.466253 0.181520 Mg\n0.089730 0.717621 0.598573 Mg\n0.243499 0.309025 0.339082 Mg\n0.984051 0.159711 0.836335 Mg\n0.434032 0.103659 0.751118 Si\n0.179091 0.568286 0.890625 Si\n0.013629 0.889544 0.985316 Si\n0.608656 0.767057 0.641618 Si\n0.110493 0.561703 0.184390 Si\n0.810298 0.320426 0.482185 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.286132212592289,
"density_atomic": 0.053104324744366965,
"volume": 263.6320124094045,
"volume_molar": 11.340207768367863,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -44.46152607,
"energy_per_atom": -3.1758232907142854,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.88752607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0095013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.242000Z",
"spacegroup": 1
},
{
"id": "mp-1073454",
"created_at": "2022-09-04T14:43:24.951851Z",
"structure_string": "Mg8 Si16\n1.0\n6.052044 0.000000 0.000000\n-0.009317 7.196189 0.000000\n-1.677137 -0.314755 9.747596\nMg Si\n8 16\ndirect\n0.787791 0.881611 0.630549 Mg\n0.124240 0.696472 0.121125 Mg\n0.724932 0.206542 0.400159 Mg\n0.366627 0.395313 0.866855 Mg\n0.212209 0.118389 0.369451 Mg\n0.875760 0.303528 0.878875 Mg\n0.275068 0.793458 0.599841 Mg\n0.633373 0.604687 0.133145 Mg\n0.979888 0.482838 0.618589 Si\n0.325137 0.313365 0.138540 Si\n0.906884 0.834849 0.353618 Si\n0.553391 0.009940 0.856323 Si\n0.020112 0.517162 0.381411 Si\n0.674863 0.686635 0.861460 Si\n0.093116 0.165151 0.646382 Si\n0.446609 0.990060 0.143677 Si\n0.514227 0.823795 0.365803 Si\n0.181233 0.003996 0.912208 Si\n0.587737 0.501997 0.625668 Si\n0.937534 0.315193 0.161257 Si\n0.485773 0.176205 0.634197 Si\n0.818767 0.996004 0.087792 Si\n0.412263 0.498003 0.374332 Si\n0.062466 0.684807 0.838743 Si\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.518275889431296,
"density_atomic": 0.056533917754027184,
"volume": 424.52391331556646,
"volume_molar": 10.65226150821825,
"formula_full": "Mg8 Si16",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -95.59171777,
"energy_per_atom": -3.9829882404166668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.72771777,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.508000Z",
"spacegroup": 2
}
]
}