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=nelements&page=73",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=71",
"results": [
{
"id": "mp-1077506",
"created_at": "2022-09-04T14:40:04.709862Z",
"structure_string": "B3 N3\n1.0\n-1.333265 2.121333 3.502511\n1.333265 -2.121333 3.502511\n1.333265 2.121333 -3.502511\nB N\n3 3\ndirect\n0.050698 0.000000 0.050698 B\n0.768669 0.192725 0.575944 B\n0.383219 0.807275 0.575944 B\n0.015712 0.808479 0.207232 N\n0.398753 0.191521 0.207232 N\n0.722949 0.000000 0.722949 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 3.12008953568589,
"density_atomic": 0.15142110972569384,
"volume": 39.6245940270103,
"volume_molar": 3.9770813798085216,
"formula_full": "B3 N3",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy": -52.00560677,
"energy_per_atom": -8.667601128333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.92260677,
"band_gap": 0.9469999999999992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.520000Z",
"spacegroup": 44
},
{
"id": "mp-1223816",
"created_at": "2022-09-04T14:40:04.433275Z",
"structure_string": "In1 Au3\n1.0\n1.580295 -2.737151 0.000000\n1.580295 2.737151 0.000000\n0.000000 0.000000 9.057575\nIn Au\n1 3\ndirect\n0.666667 0.333333 0.000000 In\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.248395 Au\n0.333333 0.666667 0.751605 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Au"
],
"chemical_system": "Au-In",
"density": 14.955510930311512,
"density_atomic": 0.0510482823927096,
"volume": 78.3571907322636,
"volume_molar": 11.796950803696472,
"formula_full": "In1 Au3",
"formula_reduced": "InAu3",
"formula_anonymous": "AB3",
"energy": -12.5163273,
"energy_per_atom": -3.129081825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.5163273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.971000Z",
"spacegroup": 187
},
{
"id": "mp-558380",
"created_at": "2022-09-04T14:40:04.291883Z",
"structure_string": "Cr4 F10\n1.0\n3.811707 4.012159 0.000000\n-3.811707 4.012159 0.000000\n0.000000 3.772736 6.264226\nCr F\n4 10\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.323983 0.314465 0.459273 F\n0.685535 0.676017 0.040727 F\n0.676017 0.685535 0.540727 F\n0.314465 0.323983 0.959273 F\n0.815661 0.184339 0.250000 F\n0.184339 0.815661 0.750000 F\n0.089882 0.641210 0.178372 F\n0.358790 0.910118 0.321628 F\n0.910118 0.358790 0.821628 F\n0.641210 0.089882 0.678372 F\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.4490751947763756,
"density_atomic": 0.07306896857267307,
"volume": 191.59980321982857,
"volume_molar": 8.241721318415063,
"formula_full": "Cr4 F10",
"formula_reduced": "Cr2F5",
"formula_anonymous": "A2B5",
"energy": -98.97191322,
"energy_per_atom": -7.069422372857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.35591322,
"band_gap": 1.5997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.999791,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.385000Z",
"spacegroup": 15
},
{
"id": "mp-971933",
"created_at": "2022-09-04T14:40:04.136937Z",
"structure_string": "Y1 Zr1\n1.0\n1.711792 -2.964910 0.000000\n1.711792 2.964910 0.000000\n0.000000 0.000000 5.402587\nY Zr\n1 1\ndirect\n0.666667 0.333333 0.500000 Y\n0.333333 0.666667 0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Zr"
],
"chemical_system": "Y-Zr",
"density": 5.454318727405002,
"density_atomic": 0.03646999665817532,
"volume": 54.83959921207366,
"volume_molar": 16.512589283854634,
"formula_full": "Y1 Zr1",
"formula_reduced": "YZr",
"formula_anonymous": "AB",
"energy": -14.78896922,
"energy_per_atom": -7.39448461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.78896922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0194661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.907000Z",
"spacegroup": 187
},
{
"id": "mp-985806",
"created_at": "2022-09-04T14:40:04.742195Z",
"structure_string": "Al2 Cu1\n1.0\n0.000000 2.884555 2.884555\n2.884555 0.000000 2.884555\n2.884555 2.884555 0.000000\nAl Cu\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 4.064939116866759,
"density_atomic": 0.06249636913426807,
"volume": 48.002788666886524,
"volume_molar": 9.635985007484113,
"formula_full": "Al2 Cu1",
"formula_reduced": "Al2Cu",
"formula_anonymous": "AB2",
"energy": -12.12455702,
"energy_per_atom": -4.041519006666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.12455702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.664000Z",
"spacegroup": 225
},
{
"id": "mp-1075396",
"created_at": "2022-09-04T14:40:06.377879Z",
"structure_string": "Mg10 Si12\n1.0\n4.091439 0.000000 0.000000\n0.000000 7.884893 0.000000\n0.000000 1.297936 13.327329\nMg Si\n10 12\ndirect\n0.500000 0.005048 0.999034 Mg\n0.500000 0.449556 0.479548 Mg\n0.000000 0.262740 0.316467 Mg\n0.000000 0.734465 0.685520 Mg\n0.000000 0.653408 0.917880 Mg\n0.000000 0.357125 0.084279 Mg\n0.000000 0.817648 0.439247 Mg\n0.000000 0.164139 0.572170 Mg\n0.000000 0.302832 0.811726 Mg\n0.000000 0.705525 0.189922 Mg\n0.500000 0.388639 0.944887 Si\n0.500000 0.618923 0.056610 Si\n0.500000 0.891697 0.573746 Si\n0.500000 0.103634 0.430918 Si\n0.000000 0.041753 0.162669 Si\n0.000000 0.966897 0.835920 Si\n0.500000 0.326037 0.667992 Si\n0.500000 0.689718 0.332029 Si\n0.500000 0.465630 0.224279 Si\n0.500000 0.543996 0.778888 Si\n0.500000 0.032752 0.734115 Si\n0.500000 0.981466 0.265783 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2403660928431353,
"density_atomic": 0.05116908807350958,
"volume": 429.9470799322194,
"volume_molar": 11.769099248649075,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -78.96513419,
"energy_per_atom": -3.5893242813636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.81713419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.065000Z",
"spacegroup": 6
},
{
"id": "mp-1016262",
"created_at": "2022-09-04T14:40:07.662976Z",
"structure_string": "Mg7 B1\n1.0\n3.083256 -5.340356 0.000000\n3.083256 5.340356 0.000000\n0.000000 0.000000 4.884000\nMg B\n7 1\ndirect\n0.998928 0.499464 0.000000 Mg\n0.500536 0.499464 0.000000 Mg\n0.500536 0.001072 0.000000 Mg\n0.159672 0.319345 0.500000 Mg\n0.159672 0.840328 0.500000 Mg\n0.680655 0.840328 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.000000 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"B"
],
"chemical_system": "B-Mg",
"density": 1.8681538497472334,
"density_atomic": 0.049739858072139036,
"volume": 160.83680794580047,
"volume_molar": 12.107273710483712,
"formula_full": "Mg7 B1",
"formula_reduced": "Mg7B",
"formula_anonymous": "AB7",
"energy": -15.02155716,
"energy_per_atom": -1.877694645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.02155716,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.941000Z",
"spacegroup": 187
},
{
"id": "mp-556566",
"created_at": "2022-09-04T14:40:02.736478Z",
"structure_string": "V16 O30\n1.0\n5.542385 0.000000 0.000000\n-2.141349 6.758745 0.000000\n-1.565629 -3.331646 12.985391\nV O\n16 30\ndirect\n0.316316 0.158973 0.186632 V\n0.183824 0.681022 0.952478 V\n0.739718 0.670989 0.560319 V\n0.738716 0.171865 0.566948 V\n0.260282 0.329011 0.439681 V\n0.827369 0.823682 0.051143 V\n0.780241 0.987540 0.309312 V\n0.261284 0.828135 0.433052 V\n0.209616 0.508572 0.692329 V\n0.691929 0.356872 0.822541 V\n0.683684 0.841027 0.813368 V\n0.219759 0.012460 0.690688 V\n0.816176 0.318978 0.047522 V\n0.790384 0.491428 0.307671 V\n0.308071 0.643128 0.177459 V\n0.172631 0.176318 0.948857 V\n0.123804 0.520634 0.391205 O\n0.066994 0.213671 0.654675 O\n0.598908 0.866996 0.525807 O\n0.946328 0.492457 0.182628 O\n0.876196 0.479366 0.608795 O\n0.203217 0.460016 0.021669 O\n0.809206 0.153430 0.894043 O\n0.401092 0.133004 0.474193 O\n0.459746 0.451160 0.218920 O\n0.144456 0.146021 0.289172 O\n0.997929 0.130372 0.080270 O\n0.911904 0.172260 0.451148 O\n0.674238 0.808577 0.156194 O\n0.855544 0.853979 0.710828 O\n0.381877 0.508329 0.577151 O\n0.796783 0.539984 0.978331 O\n0.575441 0.172686 0.682352 O\n0.053672 0.507543 0.817372 O\n0.325762 0.191423 0.843806 O\n0.350289 0.810865 0.742874 O\n0.485220 0.201434 0.048918 O\n0.088096 0.827740 0.548852 O\n0.933006 0.786329 0.345325 O\n0.190794 0.846570 0.105957 O\n0.002071 0.869628 0.919730 O\n0.424559 0.827314 0.317648 O\n0.540254 0.548840 0.781080 O\n0.649711 0.189135 0.257126 O\n0.514780 0.798566 0.951082 O\n0.618123 0.491671 0.422849 O\n",
"nsites": 46,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.4209592238365465,
"density_atomic": 0.09456709510478944,
"volume": 486.4271229757832,
"volume_molar": 6.368114356613036,
"formula_full": "V16 O30",
"formula_reduced": "V8O15",
"formula_anonymous": "A8B15",
"energy": -408.02562298,
"energy_per_atom": -8.870122238695652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.21562298,
"band_gap": 0.5660999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0001773,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.175000Z",
"spacegroup": 2
},
{
"id": "mp-1342139",
"created_at": "2022-09-04T14:40:02.534651Z",
"structure_string": "Re4 O14\n1.0\n-3.602168 3.602168 5.218474\n3.602168 -3.602168 5.218474\n3.602168 3.602168 -5.218474\nRe O\n4 14\ndirect\n0.229797 0.987838 0.241959 Re\n0.737838 0.479797 0.741959 Re\n0.745879 0.987838 0.758041 Re\n0.737838 0.995879 0.258041 Re\n0.120772 0.620772 0.500000 O\n0.370772 0.370772 0.000000 O\n0.820412 0.320412 0.500000 O\n0.070412 0.070412 0.000000 O\n0.440552 0.947320 0.132404 O\n0.814915 0.947320 0.506767 O\n0.440552 0.308148 0.493233 O\n0.814915 0.308148 0.867596 O\n0.447772 0.947772 0.500000 O\n0.058148 0.690552 0.993233 O\n0.697320 0.064915 0.006767 O\n0.697772 0.697772 0.000000 O\n0.697320 0.690552 0.632404 O\n0.058148 0.064915 0.367596 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Re",
"O"
],
"chemical_system": "O-Re",
"density": 5.939646120120717,
"density_atomic": 0.06645705043763434,
"volume": 270.8516234389885,
"volume_molar": 9.061703341245023,
"formula_full": "Re4 O14",
"formula_reduced": "Re2O7",
"formula_anonymous": "A2B7",
"energy": -144.10899317000002,
"energy_per_atom": -8.006055176111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.49099317,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.108137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.244000Z",
"spacegroup": 109
},
{
"id": "mp-632",
"created_at": "2022-09-04T14:40:19.070045Z",
"structure_string": "Tm2 Co4\n1.0\n0.000000 3.552492 3.552492\n3.552492 0.000000 3.552492\n3.552492 3.552492 0.000000\nTm Co\n2 4\ndirect\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Tm\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tm",
"Co"
],
"chemical_system": "Co-Tm",
"density": 10.622575517538541,
"density_atomic": 0.06691476066206328,
"volume": 89.66631488531416,
"volume_molar": 8.999719494497418,
"formula_full": "Tm2 Co4",
"formula_reduced": "TmCo2",
"formula_anonymous": "AB2",
"energy": -38.96841691,
"energy_per_atom": -6.494736151666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.96841691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7299662,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.304000Z",
"spacegroup": 227
},
{
"id": "mp-559872",
"created_at": "2022-09-04T14:40:02.266747Z",
"structure_string": "Si12 O24\n1.0\n7.593651 0.000000 0.000000\n0.000000 7.593651 0.000000\n0.000000 0.000000 8.777702\nSi O\n12 24\ndirect\n0.915645 0.084355 0.250000 Si\n0.380301 0.825816 0.995877 Si\n0.825816 0.380301 0.004123 Si\n0.119699 0.325816 0.754123 Si\n0.880301 0.674184 0.254123 Si\n0.584355 0.584355 0.500000 Si\n0.674184 0.880301 0.745877 Si\n0.415645 0.415645 0.000000 Si\n0.174184 0.619699 0.504123 Si\n0.325816 0.119699 0.245877 Si\n0.619699 0.174184 0.495877 Si\n0.084355 0.915645 0.750000 Si\n0.375945 0.943978 0.149584 O\n0.379762 0.615970 0.454070 O\n0.796304 0.137216 0.396236 O\n0.879762 0.884030 0.795930 O\n0.624055 0.056022 0.649584 O\n0.884030 0.879762 0.204070 O\n0.203696 0.862784 0.896236 O\n0.943978 0.375945 0.850416 O\n0.875945 0.556022 0.100416 O\n0.056022 0.624055 0.350416 O\n0.120238 0.115970 0.295930 O\n0.296304 0.362784 0.853764 O\n0.124055 0.443978 0.600416 O\n0.615970 0.379762 0.545930 O\n0.443978 0.124055 0.399584 O\n0.137216 0.796304 0.603764 O\n0.637216 0.703696 0.646236 O\n0.556022 0.875945 0.899584 O\n0.115970 0.120238 0.704070 O\n0.620238 0.384030 0.954070 O\n0.703696 0.637216 0.353764 O\n0.384030 0.620238 0.045930 O\n0.362784 0.296304 0.146236 O\n0.862784 0.203696 0.103764 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.3654253681861124,
"density_atomic": 0.07112469245417358,
"volume": 506.1533309714513,
"volume_molar": 8.467018347924853,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -301.00724303000004,
"energy_per_atom": -8.36131230638889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.51924303,
"band_gap": 5.610600000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004632,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.319000Z",
"spacegroup": 96
},
{
"id": "mp-1183295",
"created_at": "2022-09-04T14:40:01.194582Z",
"structure_string": "Ba3 Sb1\n1.0\n5.572417 0.000000 0.000000\n0.000000 5.572417 0.000000\n0.000000 0.000000 5.572417\nBa Sb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.122109246142935,
"density_atomic": 0.023116877196265588,
"volume": 173.033752181985,
"volume_molar": 26.05084029677177,
"formula_full": "Ba3 Sb1",
"formula_reduced": "Ba3Sb",
"formula_anonymous": "AB3",
"energy": -12.05615801,
"energy_per_atom": -3.0140395025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.86415801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.110000Z",
"spacegroup": 221
}
]
}