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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10394",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10392",
"results": [
{
"id": "mp-1073864",
"created_at": "2022-09-04T14:40:54.155506Z",
"structure_string": "Mg12 Si12\n1.0\n-5.331273 0.000000 0.000000\n1.453657 6.056797 0.000000\n-0.360328 -2.670358 -14.029935\nMg Si\n12 12\ndirect\n0.126930 0.601390 0.263842 Mg\n0.366310 0.693274 0.580262 Mg\n0.711109 0.668856 0.943892 Mg\n0.069706 0.098846 0.269227 Mg\n0.348827 0.216303 0.619008 Mg\n0.765593 0.171914 0.922639 Mg\n0.633690 0.306726 0.419738 Mg\n0.930294 0.901154 0.730773 Mg\n0.234407 0.828086 0.077361 Mg\n0.651173 0.783697 0.380992 Mg\n0.873070 0.398610 0.736158 Mg\n0.288891 0.331144 0.056108 Mg\n0.544213 0.995884 0.236077 Si\n0.818044 0.107197 0.566180 Si\n0.193377 0.968257 0.904254 Si\n0.550542 0.402098 0.237809 Si\n0.874685 0.710866 0.542756 Si\n0.185083 0.545197 0.900694 Si\n0.125315 0.289134 0.457244 Si\n0.455787 0.004116 0.763923 Si\n0.814917 0.454803 0.099306 Si\n0.181956 0.892803 0.433820 Si\n0.449458 0.597902 0.762191 Si\n0.806623 0.031743 0.095746 Si\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.304375703817235,
"density_atomic": 0.05297630241019708,
"volume": 453.03275064702115,
"volume_molar": 11.367612472026428,
"formula_full": "Mg12 Si12",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -82.32618993999999,
"energy_per_atom": -3.4302579141666665,
"energy_above_hull": null,
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"energy_uncorrected": -83.17818994,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0005971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.790000Z",
"spacegroup": 2
},
{
"id": "mp-1074123",
"created_at": "2022-09-04T14:40:59.287076Z",
"structure_string": "Mg8 Si14\n1.0\n3.915222 0.000000 0.000000\n0.359736 7.159261 0.000000\n0.154779 2.248822 13.990962\nMg Si\n8 14\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.996187 0.262567 0.659954 Mg\n0.003813 0.737433 0.340046 Mg\n0.530832 0.799155 0.154357 Mg\n0.469168 0.200845 0.845643 Mg\n0.006190 0.787374 0.578800 Mg\n0.993810 0.212626 0.421200 Mg\n0.443182 0.253054 0.049818 Si\n0.556818 0.746946 0.950182 Si\n0.916446 0.386459 0.953084 Si\n0.083554 0.613541 0.046916 Si\n0.499398 0.891255 0.443132 Si\n0.500602 0.108745 0.556868 Si\n0.012745 0.903000 0.815164 Si\n0.987255 0.097000 0.184836 Si\n0.493713 0.450572 0.305189 Si\n0.506287 0.549428 0.694811 Si\n0.994463 0.563055 0.797470 Si\n0.005537 0.436945 0.202530 Si\n0.484553 0.087702 0.290568 Si\n0.515447 0.912298 0.709432 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.48820446758053,
"density_atomic": 0.056098405319848735,
"volume": 392.168010383995,
"volume_molar": 10.734958909552544,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -84.97807918,
"energy_per_atom": -3.8626399627272723,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.97207918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.469000Z",
"spacegroup": 2
},
{
"id": "mp-1075495",
"created_at": "2022-09-04T14:40:53.495095Z",
"structure_string": "Mg10 Si12\n1.0\n4.073577 0.000000 0.000000\n-0.092376 8.094098 0.000000\n-2.033047 -3.421397 12.191555\nMg Si\n10 12\ndirect\n0.255999 0.857467 0.989931 Mg\n0.971559 0.865352 0.420561 Mg\n0.564882 0.911097 0.613993 Mg\n0.467125 0.139560 0.409952 Mg\n0.847572 0.939090 0.184591 Mg\n0.645209 0.256432 0.761751 Mg\n0.584462 0.542427 0.662435 Mg\n0.462318 0.558519 0.402877 Mg\n0.765446 0.157781 0.006062 Mg\n0.746976 0.571240 0.978042 Mg\n0.219679 0.314904 0.914469 Si\n0.310774 0.435844 0.108657 Si\n0.010955 0.371601 0.487311 Si\n0.031478 0.673329 0.562576 Si\n0.178988 0.011677 0.805306 Si\n0.341411 0.182596 0.175765 Si\n0.874146 0.576399 0.215558 Si\n0.068838 0.166291 0.595467 Si\n0.158233 0.532182 0.815663 Si\n0.388067 0.785165 0.270451 Si\n0.907895 0.302050 0.287526 Si\n0.691048 0.849232 0.827529 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.396241053202247,
"density_atomic": 0.05472921139467103,
"volume": 401.9791157111782,
"volume_molar": 11.003521897241104,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -77.79739441,
"energy_per_atom": -3.536245200454545,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -78.64939441,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0076761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.797000Z",
"spacegroup": 1
},
{
"id": "mp-1404518",
"created_at": "2022-09-04T14:40:56.144832Z",
"structure_string": "Mg8 Si6\n1.0\n6.424153 0.000000 0.000000\n-1.362455 6.489612 0.000000\n-1.288074 -3.355232 6.675724\nMg Si\n8 6\ndirect\n0.514608 0.375579 0.455359 Mg\n0.077112 0.014304 0.141492 Mg\n0.196233 0.587426 0.010692 Mg\n0.486877 0.808706 0.515885 Mg\n0.950431 0.111111 0.475855 Mg\n0.574720 0.940803 0.103917 Mg\n0.719518 0.593365 0.017825 Mg\n0.257786 0.332784 0.767667 Mg\n0.884472 0.708667 0.432103 Si\n0.830405 0.474918 0.759669 Si\n0.384451 0.940897 0.749999 Si\n0.465680 0.232137 0.183084 Si\n0.121853 0.551350 0.349223 Si\n0.785814 0.077965 0.787239 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.165541481473815,
"density_atomic": 0.05030313533318476,
"volume": 278.3126719094239,
"volume_molar": 11.971700610930348,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -27.07803854,
"energy_per_atom": -1.93414561,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.50403854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.472000Z",
"spacegroup": 1
},
{
"id": "mp-1075469",
"created_at": "2022-09-04T14:41:46.745098Z",
"structure_string": "Mg10 Si12\n1.0\n1.968084 15.289714 0.000000\n-1.968084 15.289714 0.000000\n0.000000 1.214113 6.715614\nMg Si\n10 12\ndirect\n0.247781 0.247781 0.140516 Mg\n0.508806 0.508806 0.978016 Mg\n0.931052 0.931052 0.844208 Mg\n0.085153 0.085153 0.100548 Mg\n0.677088 0.677088 0.001000 Mg\n0.348039 0.348039 0.942907 Mg\n0.970072 0.970072 0.326182 Mg\n0.046088 0.046088 0.639123 Mg\n0.720603 0.720603 0.483800 Mg\n0.309221 0.309221 0.502935 Mg\n0.803086 0.803086 0.206218 Si\n0.230678 0.230678 0.761148 Si\n0.537190 0.537190 0.334168 Si\n0.479735 0.479735 0.617704 Si\n0.779939 0.779939 0.845371 Si\n0.159591 0.159591 0.333311 Si\n0.603986 0.603986 0.786470 Si\n0.418989 0.418989 0.154275 Si\n0.875487 0.875487 0.340063 Si\n0.154735 0.154735 0.703925 Si\n0.610735 0.610735 0.416714 Si\n0.401106 0.401106 0.541397 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3832811654945183,
"density_atomic": 0.054433212612303286,
"volume": 404.16501147366495,
"volume_molar": 11.063357224370115,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -78.08519672999999,
"energy_per_atom": -3.5493271240909086,
"energy_above_hull": null,
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"energy_uncorrected": -78.93719673,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.551000Z",
"spacegroup": 8
},
{
"id": "mp-1074209",
"created_at": "2022-09-04T14:41:46.701492Z",
"structure_string": "Mg8 Si14\n1.0\n3.948979 0.000000 0.000000\n0.000520 6.919722 0.000000\n-1.820473 -0.690650 14.690409\nMg Si\n8 14\ndirect\n0.504284 0.818988 0.071473 Mg\n0.715948 0.562122 0.494005 Mg\n0.289648 0.749124 0.647246 Mg\n0.139922 0.360390 0.340382 Mg\n0.548357 0.336784 0.166396 Mg\n0.900904 0.765764 0.868993 Mg\n0.250323 0.261583 0.570451 Mg\n0.177444 0.861841 0.417722 Mg\n0.985079 0.496037 0.044546 Si\n0.986823 0.136554 0.041566 Si\n0.435459 0.501611 0.944216 Si\n0.436946 0.138026 0.946491 Si\n0.689247 0.178904 0.439294 Si\n0.747205 0.943191 0.552742 Si\n0.344548 0.042757 0.786903 Si\n0.071800 0.019087 0.196727 Si\n0.622167 0.648377 0.305694 Si\n0.808983 0.472878 0.688266 Si\n0.351265 0.419794 0.783419 Si\n0.070610 0.656884 0.197008 Si\n0.616616 0.007879 0.293999 Si\n0.806455 0.117735 0.698813 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.430809202645344,
"density_atomic": 0.054804386730249066,
"volume": 401.42771979705753,
"volume_molar": 10.988428334471452,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -85.11783067,
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"energy_above_hull": null,
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"total_magnetization": 0.0010305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.424000Z",
"spacegroup": 1
},
{
"id": "mp-1073644",
"created_at": "2022-09-04T14:41:35.317740Z",
"structure_string": "Mg4 Si8\n1.0\n3.782960 0.000000 0.000000\n0.000000 6.291519 0.000000\n0.000000 2.887134 9.954638\nMg Si\n4 8\ndirect\n0.229919 0.183724 0.761190 Mg\n0.225262 0.342965 0.246539 Mg\n0.725262 0.657035 0.753461 Mg\n0.729919 0.816276 0.238810 Mg\n0.238637 0.588884 0.435180 Si\n0.704432 0.938033 0.949656 Si\n0.227586 0.444680 0.948143 Si\n0.864539 0.036851 0.559955 Si\n0.364539 0.963149 0.440045 Si\n0.727586 0.555320 0.051857 Si\n0.204432 0.061967 0.050344 Si\n0.738637 0.411116 0.564820 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.256122815902359,
"density_atomic": 0.050648724491426676,
"volume": 236.9260059457419,
"volume_molar": 11.890014645915457,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -48.17877621,
"energy_per_atom": -4.0148980175,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.814000Z",
"spacegroup": 4
},
{
"id": "mp-1074770",
"created_at": "2022-09-04T14:41:50.920109Z",
"structure_string": "Mg8 Si4\n1.0\n5.131892 0.000000 0.000000\n-2.116637 6.679980 0.000000\n-2.377737 -2.571111 6.918924\nMg Si\n8 4\ndirect\n0.619191 0.283487 0.795324 Mg\n0.167881 0.523506 0.750621 Mg\n0.920834 0.030750 0.577646 Mg\n0.315943 0.048143 0.328692 Mg\n0.603895 0.550974 0.461873 Mg\n0.265591 0.307290 0.042216 Mg\n0.891365 0.276383 0.282937 Mg\n0.842098 0.807478 0.900736 Mg\n0.580748 0.774730 0.172279 Si\n0.422288 0.967508 0.945346 Si\n0.324359 0.812385 0.577791 Si\n0.046388 0.617836 0.164650 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.147769849196339,
"density_atomic": 0.05059295143684088,
"volume": 237.18719029429494,
"volume_molar": 11.903122053509582,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -33.15457245,
"energy_per_atom": -2.7628810375,
"energy_above_hull": null,
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"energy_uncorrected": -33.43857245,
"band_gap": 0.0,
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"total_magnetization": 0.0005601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.727000Z",
"spacegroup": 1
},
{
"id": "mp-1073477",
"created_at": "2022-09-04T14:41:35.511673Z",
"structure_string": "Mg4 Si8\n1.0\n3.631622 0.000000 0.000000\n0.000000 5.332388 0.000000\n0.000000 0.918804 11.830048\nMg Si\n4 8\ndirect\n0.500000 0.980575 0.960640 Mg\n0.000000 0.168678 0.178033 Mg\n0.000000 0.651525 0.356196 Mg\n0.500000 0.355685 0.593754 Mg\n0.500000 0.477322 0.042054 Si\n0.500000 0.481742 0.840055 Si\n0.500000 0.867849 0.717174 Si\n0.500000 0.257393 0.349168 Si\n0.000000 0.209717 0.792192 Si\n0.000000 0.692751 0.119117 Si\n0.000000 0.097088 0.455707 Si\n0.000000 0.759743 0.595811 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.333278521341475,
"density_atomic": 0.052380827921338774,
"volume": 229.0914534230084,
"volume_molar": 11.4968414952195,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.9361005,
"energy_per_atom": -3.994675041666667,
"energy_above_hull": null,
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"energy_uncorrected": -48.5041005,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.069000Z",
"spacegroup": 6
},
{
"id": "mp-1074062",
"created_at": "2022-09-04T14:41:46.525239Z",
"structure_string": "Mg18 Si10\n1.0\n6.978496 0.000000 0.000000\n-3.488519 6.665905 0.000000\n-3.310591 -1.921307 12.040396\nMg Si\n18 10\ndirect\n0.106161 0.780632 0.646656 Mg\n0.633771 0.043099 0.574705 Mg\n0.002370 0.364592 0.492699 Mg\n0.152932 0.761786 0.410244 Mg\n0.497902 0.656717 0.640344 Mg\n0.528967 0.368512 0.411184 Mg\n0.758379 0.083697 0.108621 Mg\n0.283343 0.938037 0.930402 Mg\n0.964492 0.697966 0.100853 Mg\n0.027689 0.370841 0.965111 Mg\n0.383463 0.280050 0.106943 Mg\n0.467211 0.627919 0.907326 Mg\n0.486066 0.994802 0.281791 Mg\n0.610203 0.044018 0.805056 Mg\n0.194516 0.466681 0.253324 Mg\n0.824915 0.594594 0.826263 Mg\n0.707368 0.717654 0.258688 Mg\n0.326191 0.236700 0.698978 Mg\n0.113685 0.061796 0.280598 Si\n0.973881 0.994307 0.460976 Si\n0.936701 0.988587 0.760665 Si\n0.931756 0.970433 0.957021 Si\n0.791902 0.398610 0.272268 Si\n0.034477 0.361385 0.746809 Si\n0.369238 0.711935 0.098440 Si\n0.604777 0.327248 0.945975 Si\n0.733623 0.412167 0.625152 Si\n0.554035 0.745218 0.432658 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.12970988189965,
"density_atomic": 0.049991515964258944,
"volume": 560.0950373263013,
"volume_molar": 12.046325549130144,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -81.7648269,
"energy_per_atom": -2.9201723892857143,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.543000Z",
"spacegroup": 1
},
{
"id": "mp-1262925",
"created_at": "2022-09-04T14:41:34.433061Z",
"structure_string": "Mg8 Si12\n1.0\n5.081813 0.434142 1.299387\n-1.477009 3.236206 -0.006242\n-1.477929 -0.621007 20.299633\nMg Si\n8 12\ndirect\n0.113325 0.354431 0.813126 Mg\n0.886635 0.245468 0.186900 Mg\n0.757004 0.680457 0.942880 Mg\n0.242991 0.919743 0.057104 Mg\n0.452806 0.529863 0.284561 Mg\n0.547188 0.070287 0.715438 Mg\n0.147026 0.375268 0.426307 Mg\n0.853046 0.224378 0.573678 Mg\n0.190107 0.398252 0.948963 Si\n0.810001 0.201803 0.050983 Si\n0.440705 0.020593 0.875718 Si\n0.559652 0.579643 0.124189 Si\n0.981514 0.793019 0.313481 Si\n0.018305 0.807236 0.686592 Si\n0.658025 0.626422 0.465435 Si\n0.341760 0.972604 0.534672 Si\n0.665281 0.137490 0.372224 Si\n0.334708 0.462849 0.627825 Si\n0.706281 0.649107 0.801878 Si\n0.293681 0.951008 0.198139 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4912259735084095,
"density_atomic": 0.05645709596708057,
"volume": 354.25130636655047,
"volume_molar": 10.666756156766256,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -74.2817082,
"energy_per_atom": -3.71408541,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.1337082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.861000Z",
"spacegroup": 12
},
{
"id": "mp-1244647",
"created_at": "2022-09-04T14:41:34.739595Z",
"structure_string": "Mg6 Si8\n1.0\n7.273002 0.761646 -6.207731\n2.694977 7.218916 -6.002878\n0.310643 -1.005530 5.600462\nMg Si\n6 8\ndirect\n0.388190 0.978563 0.967421 Mg\n0.620872 0.502053 0.393159 Mg\n0.722080 0.140904 0.686254 Mg\n0.989471 0.057489 0.395485 Mg\n0.069015 0.332331 0.403141 Mg\n0.129801 0.771628 0.736193 Mg\n0.080241 0.385742 0.990085 Si\n0.606446 0.097157 0.959286 Si\n0.830739 0.741382 0.892175 Si\n0.188338 0.622337 0.102383 Si\n0.402656 0.387487 0.358305 Si\n0.556390 0.593198 0.977332 Si\n0.804306 0.698925 0.233325 Si\n0.365221 0.944416 0.412676 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2959861995901867,
"density_atomic": 0.05224486231132671,
"volume": 267.96893284116845,
"volume_molar": 11.526761663403594,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.12269378,
"energy_per_atom": -3.580192412857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.69069378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001235,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.852000Z",
"spacegroup": 1
}
]
}