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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10368",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10366",
"results": [
{
"id": "mp-1073721",
"created_at": "2022-09-04T14:39:08.680094Z",
"structure_string": "Mg12 Si12\n1.0\n5.589758 0.000000 0.000000\n-1.060493 6.038413 0.000000\n-0.128832 -2.503766 13.489520\nMg Si\n12 12\ndirect\n0.295857 0.106344 0.028153 Mg\n0.156733 0.194856 0.327699 Mg\n0.999525 0.744914 0.667482 Mg\n0.315177 0.610777 0.004643 Mg\n0.136871 0.688841 0.354914 Mg\n0.482864 0.206569 0.679795 Mg\n0.831780 0.811572 0.169293 Mg\n0.694911 0.896555 0.472168 Mg\n0.997659 0.255407 0.832415 Mg\n0.852693 0.317665 0.143494 Mg\n0.678594 0.389852 0.496083 Mg\n0.516565 0.746901 0.818525 Mg\n0.769784 0.965622 0.988225 Si\n0.655900 0.115550 0.307379 Si\n0.503614 0.702193 0.623642 Si\n0.810239 0.555385 0.978811 Si\n0.645883 0.516013 0.314284 Si\n0.959967 0.208927 0.626792 Si\n0.346014 0.488151 0.185823 Si\n0.185856 0.452796 0.518912 Si\n0.493255 0.296456 0.877691 Si\n0.333569 0.887651 0.191904 Si\n0.223897 0.045057 0.506589 Si\n0.042884 0.795984 0.872953 Si\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2928232171362604,
"density_atomic": 0.05271071723370555,
"volume": 455.3153753076489,
"volume_molar": 11.424888667895374,
"formula_full": "Mg12 Si12",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -82.66374094999999,
"energy_per_atom": -3.444322539583333,
"energy_above_hull": null,
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"energy_uncorrected": -83.51574095,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.743000Z",
"spacegroup": 1
},
{
"id": "mp-1073795",
"created_at": "2022-09-04T14:39:12.319876Z",
"structure_string": "Mg4 Si4\n1.0\n2.168923 -5.879927 0.000000\n2.168923 5.879927 0.000000\n0.000000 0.000000 5.900243\nMg Si\n4 4\ndirect\n0.942148 0.057852 0.250000 Mg\n0.784200 0.215800 0.750000 Mg\n0.057852 0.942148 0.750000 Mg\n0.215800 0.784200 0.250000 Mg\n0.403439 0.596561 0.546849 Si\n0.403439 0.596561 0.953151 Si\n0.596561 0.403439 0.046849 Si\n0.596561 0.403439 0.453151 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3123079353067113,
"density_atomic": 0.05315865995435885,
"volume": 150.49288313265737,
"volume_molar": 11.328616570038657,
"formula_full": "Mg4 Si4",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -27.83604752,
"energy_per_atom": -3.47950594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.12004752,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.876000Z",
"spacegroup": 63
},
{
"id": "mp-1073777",
"created_at": "2022-09-04T14:48:28.718109Z",
"structure_string": "Mg6 Si6\n1.0\n2.142817 6.055240 0.000000\n-2.142817 6.055240 0.000000\n0.000000 2.251937 8.719693\nMg Si\n6 6\ndirect\n0.356132 0.356132 0.508027 Mg\n0.251807 0.251807 0.166065 Mg\n0.469891 0.469891 0.831925 Mg\n0.748193 0.748193 0.833935 Mg\n0.530109 0.530109 0.168075 Mg\n0.643868 0.643868 0.491973 Mg\n0.958681 0.958681 0.635279 Si\n0.894618 0.894618 0.027557 Si\n0.041319 0.041319 0.364721 Si\n0.856101 0.856101 0.301682 Si\n0.143899 0.143899 0.698318 Si\n0.105382 0.105382 0.972443 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3067751082786367,
"density_atomic": 0.05303146337033957,
"volume": 226.2807631047116,
"volume_molar": 11.3557883891399,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -41.84932439,
"energy_per_atom": -3.4874436991666666,
"energy_above_hull": null,
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"energy_uncorrected": -42.27532439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.319000Z",
"spacegroup": 12
},
{
"id": "mp-1074429",
"created_at": "2022-09-04T14:39:30.141834Z",
"structure_string": "Mg16 Si12\n1.0\n6.246878 0.000000 0.000000\n-1.713695 6.544546 0.000000\n-0.335489 -0.686124 13.187557\nMg Si\n16 12\ndirect\n0.790967 0.982176 0.004908 Mg\n0.715386 0.551583 0.878337 Mg\n0.978029 0.728490 0.434721 Mg\n0.184394 0.572562 0.252381 Mg\n0.086595 0.943069 0.821740 Mg\n0.119087 0.370040 0.920063 Mg\n0.526458 0.804638 0.404876 Mg\n0.320261 0.169214 0.374336 Mg\n0.270528 0.848783 0.622948 Mg\n0.409108 0.304355 0.704087 Mg\n0.896107 0.876017 0.224217 Mg\n0.845940 0.236426 0.369965 Mg\n0.954762 0.439558 0.686714 Mg\n0.721109 0.798351 0.669248 Mg\n0.501360 0.532230 0.083011 Mg\n0.447742 0.007795 0.169750 Mg\n0.630069 0.117009 0.549694 Si\n0.225284 0.466830 0.509096 Si\n0.448569 0.170776 0.934380 Si\n0.000282 0.684981 0.051706 Si\n0.360306 0.664803 0.792518 Si\n0.736696 0.146531 0.817035 Si\n0.660613 0.503730 0.278523 Si\n0.137384 0.213885 0.138906 Si\n0.619237 0.477770 0.523945 Si\n0.019854 0.100355 0.556160 Si\n0.347645 0.792802 0.965585 Si\n0.827176 0.352079 0.125276 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.235746630068737,
"density_atomic": 0.0519339233467458,
"volume": 539.1466347160635,
"volume_molar": 11.595774730501562,
"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -87.61885534,
"energy_per_atom": -3.1292448335714282,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -88.47085534,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.661000Z",
"spacegroup": 1
},
{
"id": "mp-1074673",
"created_at": "2022-09-04T14:39:34.143348Z",
"structure_string": "Mg16 Si12\n1.0\n6.057533 0.000000 0.000000\n-1.873563 6.835952 0.000000\n-1.644593 -2.266339 13.006432\nMg Si\n16 12\ndirect\n0.762980 0.912847 0.921336 Mg\n0.609356 0.354726 0.916318 Mg\n0.207821 0.017792 0.426135 Mg\n0.960040 0.410596 0.133174 Mg\n0.219070 0.920544 0.831751 Mg\n0.077737 0.299897 0.897348 Mg\n0.640522 0.854807 0.395644 Mg\n0.624733 0.487883 0.490978 Mg\n0.292734 0.713581 0.571267 Mg\n0.362895 0.287323 0.672363 Mg\n0.820846 0.875289 0.168393 Mg\n0.725652 0.223619 0.308134 Mg\n0.929356 0.460774 0.707073 Mg\n0.938186 0.942383 0.610410 Mg\n0.494703 0.473330 0.176189 Mg\n0.303047 0.846080 0.204922 Mg\n0.623402 0.131295 0.552543 Si\n0.248252 0.553504 0.342985 Si\n0.165707 0.116900 0.072919 Si\n0.004567 0.672500 0.997966 Si\n0.368351 0.593461 0.819185 Si\n0.674894 0.086855 0.746136 Si\n0.890081 0.632335 0.324308 Si\n0.205142 0.208129 0.265961 Si\n0.661740 0.703936 0.715600 Si\n0.008402 0.297640 0.516843 Si\n0.410023 0.688292 0.011042 Si\n0.550710 0.090518 0.067208 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2380846855917027,
"density_atomic": 0.051988233792606295,
"volume": 538.5834054624515,
"volume_molar": 11.583660995339415,
"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -88.04737849,
"energy_per_atom": -3.144549231785714,
"energy_above_hull": null,
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"energy_uncorrected": -88.89937849,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.856000Z",
"spacegroup": 1
},
{
"id": "mp-1073877",
"created_at": "2022-09-04T14:39:27.443000Z",
"structure_string": "Mg12 Si10\n1.0\n5.030160 0.000000 0.000000\n-0.768000 -5.924648 0.000000\n-2.282017 0.117383 -13.818671\nMg Si\n12 10\ndirect\n0.172355 0.837142 0.009861 Mg\n0.750032 0.881481 0.487854 Mg\n0.166812 0.370202 0.361679 Mg\n0.927570 0.184198 0.653454 Mg\n0.070090 0.455270 0.829341 Mg\n0.743262 0.897070 0.144563 Mg\n0.183027 0.868949 0.363366 Mg\n0.250884 0.602821 0.575312 Mg\n0.624674 0.635522 0.923544 Mg\n0.729653 0.398985 0.150526 Mg\n0.163263 0.336962 0.034888 Mg\n0.597073 0.135099 0.920098 Mg\n0.332722 0.085280 0.552740 Si\n0.654992 0.396907 0.489532 Si\n0.284722 0.073986 0.194894 Si\n0.449571 0.922722 0.735103 Si\n0.805621 0.677012 0.674430 Si\n0.669942 0.615823 0.321890 Si\n0.271950 0.647182 0.194936 Si\n0.498085 0.365010 0.735545 Si\n0.007532 0.928460 0.818034 Si\n0.649600 0.187587 0.332001 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.308475862680589,
"density_atomic": 0.053421004689910574,
"volume": 411.82302968096474,
"volume_molar": 11.272982967947396,
"formula_full": "Mg12 Si10",
"formula_reduced": "Mg6Si5",
"formula_anonymous": "A5B6",
"energy": -70.00668002,
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"energy_above_hull": null,
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"energy_uncorrected": -70.71668002,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.268000Z",
"spacegroup": 1
},
{
"id": "mp-1075377",
"created_at": "2022-09-04T14:39:33.605196Z",
"structure_string": "Mg10 Si12\n1.0\n2.078929 14.609325 0.000000\n-2.078929 14.609325 0.000000\n0.000000 1.189593 6.739178\nMg Si\n10 12\ndirect\n0.833646 0.833646 0.127708 Mg\n0.665701 0.665701 0.429257 Mg\n0.240137 0.240137 0.217658 Mg\n0.091433 0.091433 0.674803 Mg\n0.503439 0.503439 0.746943 Mg\n0.327303 0.327303 0.486957 Mg\n0.207279 0.207279 0.701893 Mg\n0.130424 0.130424 0.140635 Mg\n0.455886 0.455886 0.283616 Mg\n0.400526 0.400526 0.801288 Mg\n0.952750 0.952750 0.609146 Si\n0.932387 0.932387 0.035894 Si\n0.638544 0.638544 0.826636 Si\n0.697822 0.697822 0.023158 Si\n0.771937 0.771937 0.800589 Si\n0.018397 0.018397 0.034101 Si\n0.572150 0.572150 0.393242 Si\n0.759235 0.759235 0.461936 Si\n0.895220 0.895220 0.396577 Si\n0.025366 0.025366 0.382390 Si\n0.564579 0.564579 0.037604 Si\n0.309284 0.309284 0.891600 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3530289137242173,
"density_atomic": 0.05374226297679436,
"volume": 409.36125093019416,
"volume_molar": 11.205595794505957,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -79.11937615,
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"updated_at": "2021-11-28T01:34:42.576000Z",
"spacegroup": 8
},
{
"id": "mp-1073012",
"created_at": "2022-09-04T14:39:34.288476Z",
"structure_string": "Mg8 Si12\n1.0\n3.783736 0.000000 0.000000\n-0.815112 5.832026 0.000000\n-0.884198 -1.280162 17.299218\nMg Si\n8 12\ndirect\n0.296674 0.924482 0.217361 Mg\n0.813628 0.126818 0.794835 Mg\n0.345847 0.160392 0.061537 Mg\n0.778666 0.847349 0.946022 Mg\n0.673103 0.613166 0.726629 Mg\n0.422034 0.483938 0.282727 Mg\n0.001323 0.568942 0.550814 Mg\n0.389648 0.256786 0.436484 Mg\n0.181824 0.657726 0.057535 Si\n0.911823 0.354663 0.956418 Si\n0.698034 0.606704 0.142479 Si\n0.399796 0.420763 0.872328 Si\n0.084794 0.953448 0.651452 Si\n0.859009 0.166763 0.319957 Si\n0.880458 0.070448 0.526968 Si\n0.517646 0.758736 0.445582 Si\n0.618073 0.208252 0.641130 Si\n0.004595 0.794090 0.358248 Si\n0.859421 0.238472 0.181289 Si\n0.263754 0.788079 0.830195 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3118403185758942,
"density_atomic": 0.05239179107569818,
"volume": 381.7391921399106,
"volume_molar": 11.494435743376135,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -74.76054671,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.548000Z",
"spacegroup": 1
},
{
"id": "mp-1073413",
"created_at": "2022-09-04T14:39:31.256093Z",
"structure_string": "Mg4 Si8\n1.0\n1.942605 5.020227 0.000000\n-1.942605 5.020227 0.000000\n0.000000 1.547246 10.671310\nMg Si\n4 8\ndirect\n0.154856 0.154856 0.894495 Mg\n0.558687 0.558687 0.665175 Mg\n0.441313 0.441313 0.334825 Mg\n0.845144 0.845144 0.105505 Mg\n0.261329 0.261329 0.638914 Si\n0.438303 0.438303 0.914110 Si\n0.561697 0.561697 0.085890 Si\n0.738671 0.738671 0.361086 Si\n0.862107 0.862107 0.799999 Si\n0.882072 0.882072 0.542105 Si\n0.117928 0.117928 0.457895 Si\n0.137893 0.137893 0.200001 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.56814701465505,
"density_atomic": 0.05765349726615807,
"volume": 208.14001871563582,
"volume_molar": 10.445404087454945,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.52623422,
"energy_per_atom": -3.9605195183333333,
"energy_above_hull": null,
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"energy_uncorrected": -48.09423422,
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"updated_at": "2021-11-28T01:34:34.819000Z",
"spacegroup": 12
},
{
"id": "mp-1074404",
"created_at": "2022-09-04T14:39:27.979093Z",
"structure_string": "Mg8 Si6\n1.0\n-6.143341 0.000000 0.000000\n2.256976 6.797385 0.000000\n-0.227830 -2.896722 -6.743868\nMg Si\n8 6\ndirect\n0.066349 0.803879 0.764727 Mg\n0.273328 0.162374 0.179870 Mg\n0.651262 0.352487 0.610955 Mg\n0.947625 0.028352 0.482752 Mg\n0.374275 0.868576 0.419453 Mg\n0.865811 0.520235 0.317502 Mg\n0.721585 0.139166 0.895000 Mg\n0.578624 0.689961 0.990428 Mg\n0.693661 0.102822 0.244069 Si\n0.098593 0.427539 0.808990 Si\n0.316259 0.203459 0.814048 Si\n0.034364 0.721451 0.089259 Si\n0.240039 0.495628 0.515449 Si\n0.638284 0.734234 0.617599 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.140148630093371,
"density_atomic": 0.04971328745891703,
"volume": 281.61485018607095,
"volume_molar": 12.11374477090594,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -44.88826981,
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"energy_uncorrected": -45.31426981,
"band_gap": 0.0,
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"total_magnetization": 3.03e-05,
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"updated_at": "2021-11-28T01:34:23.139000Z",
"spacegroup": 1
},
{
"id": "mp-1074413",
"created_at": "2022-09-04T14:39:33.780691Z",
"structure_string": "Mg8 Si6\n1.0\n5.283057 0.000000 0.000000\n2.547510 7.267964 0.000000\n2.256471 2.907217 6.875728\nMg Si\n8 6\ndirect\n0.477989 0.246274 0.205255 Mg\n0.008669 0.032488 0.041433 Mg\n0.845116 0.461742 0.716929 Mg\n0.372154 0.700680 0.918020 Mg\n0.947177 0.459198 0.067975 Mg\n0.804249 0.919410 0.786592 Mg\n0.640079 0.353364 0.476501 Mg\n0.532867 0.806021 0.216447 Mg\n0.254358 0.665479 0.599540 Si\n0.595473 0.893678 0.511854 Si\n0.418782 0.259143 0.863628 Si\n0.118173 0.542589 0.336535 Si\n0.208910 0.137397 0.608175 Si\n0.026033 0.022607 0.400965 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2828781748645515,
"density_atomic": 0.05302873704420143,
"volume": 264.00779615645905,
"volume_molar": 11.356372215654169,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -43.23312754,
"energy_per_atom": -3.0880805385714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.65912754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.371000Z",
"spacegroup": 1
},
{
"id": "mp-1074665",
"created_at": "2022-09-04T14:48:04.192268Z",
"structure_string": "Mg8 Si4\n1.0\n5.630926 0.000000 0.000000\n2.347529 6.638139 0.000000\n2.658710 1.421220 6.760106\nMg Si\n8 4\ndirect\n0.521106 0.190225 0.266282 Mg\n0.503925 0.256845 0.652009 Mg\n0.012117 0.417853 0.053523 Mg\n0.552434 0.499327 0.900716 Mg\n0.989883 0.500590 0.472305 Mg\n0.022443 0.010356 0.416030 Mg\n0.515019 0.669325 0.271821 Mg\n0.009008 0.073417 0.847177 Mg\n0.741542 0.818870 0.835234 Si\n0.363816 0.043936 0.040332 Si\n0.215478 0.664426 0.676506 Si\n0.553338 0.854719 0.568533 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0160407393626327,
"density_atomic": 0.04748993532031948,
"volume": 252.6851198903522,
"volume_molar": 12.680877999476474,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -33.136915450000004,
"energy_per_atom": -2.7614096208333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.42091545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.483000Z",
"spacegroup": 1
}
]
}