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=band_gap&page=19",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=17",
"results": [
{
"id": "mp-978516",
"created_at": "2022-09-04T14:47:07.249836Z",
"structure_string": "Sm1 Ag2 Hg1\n1.0\n0.000000 3.548445 3.548445\n3.548445 0.000000 3.548445\n3.548445 3.548445 0.000000\nSm Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Sm",
"density": 10.53046762760724,
"density_atomic": 0.044762647096517054,
"volume": 89.36022017141245,
"volume_molar": 13.453495605420928,
"formula_full": "Sm1 Ag2 Hg1",
"formula_reduced": "SmAg2Hg",
"formula_anonymous": "ABC2",
"energy": -11.75699347,
"energy_per_atom": -2.9392483675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.75699347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.934000Z",
"spacegroup": 225
},
{
"id": "mp-1225075",
"created_at": "2022-09-04T14:47:07.332305Z",
"structure_string": "Fe9 B4 Rh3\n1.0\n6.878050 0.000000 0.000000\n0.000000 4.495654 0.000000\n0.000000 0.022102 5.459183\nFe B Rh\n9 4 3\ndirect\n0.314410 0.646457 0.673163 Fe\n0.687919 0.860692 0.180216 Fe\n0.807751 0.357535 0.326677 Fe\n0.193365 0.142663 0.821507 Fe\n0.192249 0.357535 0.326677 Fe\n0.806635 0.142663 0.821507 Fe\n0.685590 0.646457 0.673163 Fe\n0.312081 0.860692 0.180216 Fe\n0.500000 0.124029 0.526102 Fe\n0.500000 0.920516 0.879817 B\n0.500000 0.572907 0.377410 B\n0.000000 0.080544 0.118295 B\n0.000000 0.420822 0.622056 B\n0.500000 0.366237 0.026923 Rh\n0.000000 0.870040 0.473396 Rh\n0.000000 0.630211 0.972875 Rh\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"B",
"Rh"
],
"chemical_system": "B-Fe-Rh",
"density": 8.40637177098485,
"density_atomic": 0.09478380131799086,
"volume": 168.80521542200535,
"volume_molar": 6.353554801833993,
"formula_full": "Fe9 B4 Rh3",
"formula_reduced": "Fe9B4Rh3",
"formula_anonymous": "A3B4C9",
"energy": -128.43301206,
"energy_per_atom": -8.02706325375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.43301206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.7876084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.679000Z",
"spacegroup": 6
},
{
"id": "mp-1245113",
"created_at": "2022-09-04T14:47:07.377172Z",
"structure_string": "Al38 O21\n1.0\n5.613055 -0.018529 -0.041810\n2.789874 4.924308 0.016927\n-0.359587 0.367801 51.261982\nAl O\n38 21\ndirect\n0.461881 0.525898 0.007649 Al\n0.960308 0.527369 0.007672 Al\n0.461621 0.025600 0.007790 Al\n0.141120 0.187724 0.053540 Al\n0.144890 0.685951 0.053554 Al\n0.641882 0.687200 0.053655 Al\n0.645388 0.185068 0.053607 Al\n0.319251 0.343828 0.098591 Al\n0.318730 0.844828 0.098588 Al\n0.821708 0.841970 0.098663 Al\n0.817619 0.343790 0.098477 Al\n0.995516 0.008265 0.144717 Al\n0.994398 0.504883 0.144010 Al\n0.494056 0.508528 0.144694 Al\n0.496204 0.005117 0.144070 Al\n0.172467 0.168032 0.189069 Al\n0.669057 0.161545 0.189561 Al\n0.671598 0.668934 0.189456 Al\n0.169382 0.660532 0.189873 Al\n0.850437 0.333285 0.232778 Al\n0.345994 0.840396 0.232767 Al\n0.354114 0.343188 0.239468 Al\n0.846076 0.847153 0.239710 Al\n0.955548 0.435820 0.280619 Al\n0.513357 0.960149 0.292451 Al\n0.438786 0.449231 0.308579 Al\n0.986761 0.991987 0.323765 Al\n0.261953 0.724688 0.367761 Al\n0.802662 0.296845 0.379690 Al\n0.660092 0.838722 0.384724 Al\n0.245624 0.378413 0.412932 Al\n0.186446 0.948312 0.428265 Al\n0.155795 0.684486 0.472378 Al\n0.634902 0.063951 0.463490 Al\n0.649019 0.544642 0.495500 Al\n0.192219 0.024042 0.527771 Al\n0.722964 0.110779 0.539920 Al\n0.961909 0.027332 0.007394 Al\n0.334558 0.345502 0.279075 O\n0.843664 0.809818 0.275659 O\n0.637254 0.595695 0.300401 O\n0.140658 0.102928 0.300889 O\n0.635416 0.104629 0.319453 O\n0.197837 0.641366 0.332325 O\n0.030641 0.070423 0.357004 O\n0.630133 0.607261 0.360930 O\n0.026545 0.666155 0.387926 O\n0.542868 0.201859 0.388236 O\n0.398317 0.797301 0.399440 O\n0.984910 0.269959 0.409092 O\n0.239403 0.607762 0.437244 O\n0.413718 0.079116 0.438453 O\n0.956417 0.036039 0.457097 O\n0.817172 0.716494 0.480618 O\n0.476264 0.368129 0.481633 O\n0.307675 0.823515 0.498779 O\n0.832971 0.316529 0.521437 O\n0.050047 0.882382 0.548969 O\n0.426928 0.112485 0.538709 O\n",
"nsites": 59,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 1.592551554742346,
"density_atomic": 0.04156684662483,
"volume": 1419.4004306488887,
"volume_molar": 14.48784608164784,
"formula_full": "Al38 O21",
"formula_reduced": "Al38O21",
"formula_anonymous": "A21B38",
"energy": -355.60070398000005,
"energy_per_atom": -6.027130575932204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.17370398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0132097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.984000Z",
"spacegroup": 1
},
{
"id": "mp-1215019",
"created_at": "2022-09-04T14:47:06.228930Z",
"structure_string": "Ca30 Al6 Cu57\n1.0\n7.380422 -12.783266 0.000000\n7.380422 12.783266 0.000000\n0.000000 0.000000 9.059524\nCa Al Cu\n30 6 57\ndirect\n0.000000 0.000000 0.218335 Ca\n0.000000 0.000000 0.781665 Ca\n0.379259 0.000000 0.000000 Ca\n0.620741 0.000000 0.000000 Ca\n0.000000 0.379259 0.000000 Ca\n0.000000 0.620741 0.000000 Ca\n0.620741 0.620741 0.000000 Ca\n0.379259 0.379259 0.000000 Ca\n0.207885 0.415770 0.208202 Ca\n0.792115 0.584230 0.791798 Ca\n0.584230 0.792115 0.208202 Ca\n0.792115 0.584230 0.208202 Ca\n0.415770 0.207885 0.791798 Ca\n0.207885 0.415770 0.791798 Ca\n0.207885 0.792115 0.208202 Ca\n0.415770 0.207885 0.208202 Ca\n0.792115 0.207885 0.791798 Ca\n0.584230 0.792115 0.791798 Ca\n0.792115 0.207885 0.208202 Ca\n0.207885 0.792115 0.791798 Ca\n0.333333 0.666667 0.314897 Ca\n0.666667 0.333333 0.685103 Ca\n0.666667 0.333333 0.314897 Ca\n0.333333 0.666667 0.685103 Ca\n0.132422 0.264843 0.500000 Ca\n0.867578 0.735157 0.500000 Ca\n0.735157 0.867578 0.500000 Ca\n0.264843 0.132422 0.500000 Ca\n0.132422 0.867578 0.500000 Ca\n0.867578 0.132422 0.500000 Ca\n0.603635 0.207271 0.000000 Al\n0.396365 0.792729 0.000000 Al\n0.792729 0.396365 0.000000 Al\n0.207271 0.603635 0.000000 Al\n0.603635 0.396365 0.000000 Al\n0.396365 0.603635 0.000000 Al\n0.162146 0.490733 0.500000 Cu\n0.837854 0.509267 0.500000 Cu\n0.509267 0.671412 0.500000 Cu\n0.490733 0.162146 0.500000 Cu\n0.490733 0.328588 0.500000 Cu\n0.509267 0.837854 0.500000 Cu\n0.328588 0.837854 0.500000 Cu\n0.671412 0.509267 0.500000 Cu\n0.671412 0.162146 0.500000 Cu\n0.328588 0.490733 0.500000 Cu\n0.837854 0.328588 0.500000 Cu\n0.162146 0.671412 0.500000 Cu\n0.106463 0.212926 0.000000 Cu\n0.893537 0.787074 0.000000 Cu\n0.787074 0.893537 0.000000 Cu\n0.212926 0.106463 0.000000 Cu\n0.106463 0.893537 0.000000 Cu\n0.893537 0.106463 0.000000 Cu\n0.550770 0.101539 0.251743 Cu\n0.449230 0.898461 0.748257 Cu\n0.898461 0.449230 0.251743 Cu\n0.449230 0.898461 0.251743 Cu\n0.101539 0.550770 0.748257 Cu\n0.550770 0.101539 0.748257 Cu\n0.550770 0.449230 0.251743 Cu\n0.101539 0.550770 0.251743 Cu\n0.449230 0.550770 0.748257 Cu\n0.898461 0.449230 0.748257 Cu\n0.449230 0.550770 0.251743 Cu\n0.550770 0.449230 0.748257 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.209476 0.000000 0.216059 Cu\n0.790524 0.000000 0.783941 Cu\n0.000000 0.209476 0.216059 Cu\n0.790524 0.000000 0.216059 Cu\n0.000000 0.209476 0.783941 Cu\n0.000000 0.790524 0.783941 Cu\n0.209476 0.000000 0.783941 Cu\n0.000000 0.790524 0.216059 Cu\n0.790524 0.790524 0.216059 Cu\n0.209476 0.209476 0.783941 Cu\n0.209476 0.209476 0.216059 Cu\n0.790524 0.790524 0.783941 Cu\n0.355659 0.000000 0.352065 Cu\n0.644341 0.000000 0.647935 Cu\n0.000000 0.355659 0.352065 Cu\n0.644341 0.000000 0.352065 Cu\n0.000000 0.355659 0.647935 Cu\n0.000000 0.644341 0.647935 Cu\n0.355659 0.000000 0.647935 Cu\n0.000000 0.644341 0.352065 Cu\n0.644341 0.644341 0.352065 Cu\n0.355659 0.355659 0.647935 Cu\n0.355659 0.355659 0.352065 Cu\n0.644341 0.644341 0.647935 Cu\n",
"nsites": 93,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cu"
],
"chemical_system": "Al-Ca-Cu",
"density": 4.843659076903556,
"density_atomic": 0.05440321335409712,
"volume": 1709.4578475481935,
"volume_molar": 11.0694578292708,
"formula_full": "Ca30 Al6 Cu57",
"formula_reduced": "Ca10Al2Cu19",
"formula_anonymous": "A2B10C19",
"energy": -330.14438006,
"energy_per_atom": -3.5499395705376346,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.14438006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2337568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.476000Z",
"spacegroup": 191
},
{
"id": "mp-1222144",
"created_at": "2022-09-04T14:47:06.580774Z",
"structure_string": "Mg2 Ag1 Pd1\n1.0\n3.268513 0.000000 0.000000\n0.000000 3.268513 0.000000\n0.000000 0.000000 6.535614\nMg Ag Pd\n2 1 1\ndirect\n0.500000 0.500000 0.262972 Mg\n0.500000 0.500000 0.737028 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"Pd"
],
"chemical_system": "Ag-Mg-Pd",
"density": 6.25244503244996,
"density_atomic": 0.05728925354770559,
"volume": 69.82112267650935,
"volume_molar": 10.511815719479182,
"formula_full": "Mg2 Ag1 Pd1",
"formula_reduced": "Mg2AgPd",
"formula_anonymous": "ABC2",
"energy": -13.20609434,
"energy_per_atom": -3.301523585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.20609434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.766000Z",
"spacegroup": 123
},
{
"id": "mp-1189764",
"created_at": "2022-09-04T14:47:07.549079Z",
"structure_string": "Zr10 Fe2 Sb6\n1.0\n4.336729 -7.511435 0.000000\n4.336729 7.511435 0.000000\n0.000000 0.000000 5.798955\nZr Fe Sb\n10 2 6\ndirect\n0.744330 0.744330 0.750000 Zr\n0.255670 0.000000 0.750000 Zr\n0.000000 0.255670 0.750000 Zr\n0.255670 0.255670 0.250000 Zr\n0.744330 0.000000 0.250000 Zr\n0.000000 0.744330 0.250000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.390951 0.390951 0.750000 Sb\n0.609049 0.000000 0.750000 Sb\n0.000000 0.609049 0.750000 Sb\n0.609049 0.609049 0.250000 Sb\n0.390951 0.000000 0.250000 Sb\n0.000000 0.390951 0.250000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Zr",
"density": 7.711432523912211,
"density_atomic": 0.047643929486814805,
"volume": 377.80259088372213,
"volume_molar": 12.639891009969265,
"formula_full": "Zr10 Fe2 Sb6",
"formula_reduced": "Zr5FeSb3",
"formula_anonymous": "AB3C5",
"energy": -139.49307051,
"energy_per_atom": -7.749615028333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.34107051,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0075354,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.301000Z",
"spacegroup": 193
},
{
"id": "mp-1018124",
"created_at": "2022-09-04T14:47:06.584172Z",
"structure_string": "Ti2 Rh1\n1.0\n-1.536042 1.536042 4.930425\n1.536042 -1.536042 4.930425\n1.536042 1.536042 -4.930425\nTi Rh\n2 1\ndirect\n0.661769 0.661769 0.000000 Ti\n0.338231 0.338231 0.000000 Ti\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Rh"
],
"chemical_system": "Rh-Ti",
"density": 7.088660567074917,
"density_atomic": 0.06447193798243392,
"volume": 46.53187253060987,
"volume_molar": 9.340716206857001,
"formula_full": "Ti2 Rh1",
"formula_reduced": "Ti2Rh",
"formula_anonymous": "AB2",
"energy": -25.0196782,
"energy_per_atom": -8.339892733333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.0196782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.65e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.016000Z",
"spacegroup": 139
},
{
"id": "mp-20899",
"created_at": "2022-09-04T14:47:06.259340Z",
"structure_string": "U1 Ga3 Pd2\n1.0\n2.667764 -4.620702 0.000000\n2.667764 4.620702 0.000000\n0.000000 0.000000 4.307727\nU Ga Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-U",
"density": 10.320112735627264,
"density_atomic": 0.05649600178980035,
"volume": 106.20220564144816,
"volume_molar": 10.659410523254449,
"formula_full": "U1 Ga3 Pd2",
"formula_reduced": "UGa3Pd2",
"formula_anonymous": "AB2C3",
"energy": -33.48471722,
"energy_per_atom": -5.580786203333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.48471722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.294485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.519000Z",
"spacegroup": 191
},
{
"id": "mp-1223037",
"created_at": "2022-09-04T14:47:07.941351Z",
"structure_string": "La2 N2 O12\n1.0\n0.106120 -4.062399 0.114478\n-0.056990 0.195489 -6.111991\n10.150140 -2.341354 2.105301\nLa N O\n2 2 12\ndirect\n0.206361 0.778539 0.586025 La\n0.793639 0.221461 0.413975 La\n0.654938 0.189737 0.829890 N\n0.345062 0.810263 0.170110 N\n0.060709 0.692187 0.822823 O\n0.939291 0.307813 0.177177 O\n0.610227 0.004631 0.750589 O\n0.389773 0.995369 0.249411 O\n0.682744 0.557034 0.594941 O\n0.317256 0.442966 0.405059 O\n0.806289 0.847516 0.460707 O\n0.193711 0.152484 0.539293 O\n0.823863 0.186535 0.912366 O\n0.176137 0.813465 0.087634 O\n0.531057 0.365164 0.820469 O\n0.468943 0.634836 0.179531 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"N",
"O"
],
"chemical_system": "La-N-O",
"density": 3.30860259367264,
"density_atomic": 0.06403916279743468,
"volume": 249.8471138764003,
"volume_molar": 9.403840551521448,
"formula_full": "La2 N2 O12",
"formula_reduced": "LaNO6",
"formula_anonymous": "ABC6",
"energy": -104.59150075,
"energy_per_atom": -6.536968796875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.34750075,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9992491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.189000Z",
"spacegroup": 2
},
{
"id": "mp-865790",
"created_at": "2022-09-04T14:47:06.586178Z",
"structure_string": "Yb1 In1 Hg2\n1.0\n0.000000 3.664617 3.664617\n3.664617 0.000000 3.664617\n3.664617 3.664617 0.000000\nYb In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"In",
"Hg"
],
"chemical_system": "Hg-In-Yb",
"density": 11.624559361883959,
"density_atomic": 0.04063911295135137,
"volume": 98.42734522252873,
"volume_molar": 14.818583189079538,
"formula_full": "Yb1 In1 Hg2",
"formula_reduced": "YbInHg2",
"formula_anonymous": "ABC2",
"energy": -6.71094764,
"energy_per_atom": -1.67773691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.71094764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.654000Z",
"spacegroup": 225
},
{
"id": "mp-1095395",
"created_at": "2022-09-04T14:47:08.032631Z",
"structure_string": "Eu2 V2 O8\n1.0\n-2.593437 2.593437 5.797770\n2.593437 -2.593437 5.797770\n2.593437 2.593437 -5.797770\nEu V O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Eu\n0.000000 0.000000 0.000000 Eu\n0.250000 0.750000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.172810 0.275204 0.608219 O\n0.666985 0.564592 0.391781 O\n0.314592 0.422810 0.397606 O\n0.025204 0.916985 0.602394 O\n0.577190 0.974796 0.891781 O\n0.083015 0.685408 0.108219 O\n0.435408 0.827190 0.102394 O\n0.724796 0.333015 0.897606 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"V",
"O"
],
"chemical_system": "Eu-O-V",
"density": 5.6827733095323465,
"density_atomic": 0.07693232665113607,
"volume": 155.98124380686195,
"volume_molar": 7.827841717706676,
"formula_full": "Eu2 V2 O8",
"formula_reduced": "EuVO4",
"formula_anonymous": "ABC4",
"energy": -111.92158481,
"energy_per_atom": -9.326798734166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.02558481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9976337,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.596000Z",
"spacegroup": 88
},
{
"id": "mp-1094659",
"created_at": "2022-09-04T14:47:07.658254Z",
"structure_string": "Mg2 Ga4\n1.0\n1.557098 -7.347428 0.000000\n1.557098 7.347428 0.000000\n0.000000 0.000000 5.021647\nMg Ga\n2 4\ndirect\n0.440100 0.559900 0.250000 Mg\n0.559900 0.440100 0.750000 Mg\n0.113514 0.886486 0.250000 Ga\n0.773113 0.226887 0.250000 Ga\n0.226887 0.773113 0.750000 Ga\n0.886486 0.113514 0.750000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.732990056118249,
"density_atomic": 0.05221842738696129,
"volume": 114.90196660917012,
"volume_molar": 11.532596942020705,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy": -15.547972830000004,
"energy_per_atom": -2.5913288050000007,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.547972830000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.340000Z",
"spacegroup": 63
}
]
}