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=is_stable&page=12153",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12151",
"results": [
{
"id": "mp-1099238",
"created_at": "2022-09-04T14:40:34.577594Z",
"structure_string": "Hf1 Mg6 Fe1 O8\n1.0\n4.325538 0.000000 0.000000\n0.000000 4.325538 0.000000\n0.000000 0.000000 8.836893\nHf Mg Fe O\n1 6 1 8\ndirect\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.259186 Mg\n0.000000 0.500000 0.740814 Mg\n0.500000 0.000000 0.259186 Mg\n0.500000 0.000000 0.740814 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.262153 O\n0.000000 0.000000 0.737847 O\n0.500000 0.500000 0.255707 O\n0.500000 0.500000 0.744293 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Hf-Mg-O",
"density": 5.103520751885414,
"density_atomic": 0.09676986226014886,
"volume": 165.34073342986474,
"volume_molar": 6.223157312976769,
"formula_full": "Hf1 Mg6 Fe1 O8",
"formula_reduced": "HfMg6FeO8",
"formula_anonymous": "ABC6D8",
"energy": -110.21758011,
"energy_per_atom": -6.888598756875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.46558011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4476654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.841000Z",
"spacegroup": 123
},
{
"id": "mp-756675",
"created_at": "2022-09-04T14:40:33.916348Z",
"structure_string": "Li5 Fe3 Sn2 O10\n1.0\n5.230687 0.000000 0.000000\n0.900792 5.278820 0.000000\n2.500156 2.059298 7.384888\nLi Fe Sn O\n5 3 2 10\ndirect\n0.505093 0.767747 0.407878 Li\n0.507019 0.592101 0.792492 Li\n0.000000 0.500000 0.500000 Li\n0.492981 0.407899 0.207508 Li\n0.494907 0.232253 0.592122 Li\n0.500000 0.000000 0.000000 Fe\n0.002973 0.307977 0.894112 Fe\n0.997027 0.692023 0.105888 Fe\n0.009631 0.896706 0.697870 Sn\n0.990369 0.103294 0.302130 Sn\n0.245575 0.940495 0.858691 O\n0.744929 0.678289 0.938671 O\n0.770326 0.856862 0.540264 O\n0.261052 0.782245 0.232398 O\n0.237515 0.554288 0.661973 O\n0.762485 0.445712 0.338027 O\n0.738948 0.217755 0.767602 O\n0.229674 0.143138 0.459736 O\n0.255071 0.321711 0.061329 O\n0.754425 0.059505 0.141309 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-O-Sn",
"density": 4.883265451070139,
"density_atomic": 0.09808226719058638,
"volume": 203.91045775009914,
"volume_molar": 6.13988739503565,
"formula_full": "Li5 Fe3 Sn2 O10",
"formula_reduced": "Li5Fe3(SnO5)2",
"formula_anonymous": "A2B3C5D10",
"energy": -132.47022769,
"energy_per_atom": -6.6235113845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.83222769,
"band_gap": 1.4391000000000007,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.9960936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.641000Z",
"spacegroup": 2
},
{
"id": "mp-1016271",
"created_at": "2022-09-04T14:40:33.916859Z",
"structure_string": "Mg7 Al1\n1.0\n3.158907 -5.471387 0.000000\n3.158907 5.471387 0.000000\n0.000000 0.000000 5.081868\nMg Al\n7 1\ndirect\n0.833536 0.667072 0.000000 Mg\n0.332928 0.166464 0.000000 Mg\n0.833536 0.166464 0.000000 Mg\n0.498634 0.501366 0.500000 Mg\n0.002731 0.501366 0.500000 Mg\n0.498634 0.997269 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.000000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 1.863307411605923,
"density_atomic": 0.04554097629926583,
"volume": 175.66597491079628,
"volume_molar": 13.223565345693046,
"formula_full": "Mg7 Al1",
"formula_reduced": "Mg7Al",
"formula_anonymous": "AB7",
"energy": -14.82906557,
"energy_per_atom": -1.85363319625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.82906557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.940000Z",
"spacegroup": 187
},
{
"id": "mp-1219625",
"created_at": "2022-09-04T14:40:33.962011Z",
"structure_string": "Rb4 Sb1 Rh1 Cl12\n1.0\n7.268960 0.000000 0.000000\n0.000000 7.268960 0.000000\n0.000000 0.000000 10.485705\nRb Sb Rh Cl\n4 1 1 12\ndirect\n0.500000 0.000000 0.789919 Rb\n0.000000 0.500000 0.210081 Rb\n0.500000 0.000000 0.210081 Rb\n0.000000 0.500000 0.789919 Rb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.773094 Cl\n0.500000 0.500000 0.267123 Cl\n0.735327 0.735327 0.500000 Cl\n0.231036 0.231036 0.000000 Cl\n0.735327 0.264673 0.500000 Cl\n0.231036 0.768964 0.000000 Cl\n0.000000 0.000000 0.226906 Cl\n0.500000 0.500000 0.732877 Cl\n0.264673 0.264673 0.500000 Cl\n0.768964 0.768964 0.000000 Cl\n0.264673 0.735327 0.500000 Cl\n0.768964 0.231036 0.000000 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Rh",
"Cl"
],
"chemical_system": "Cl-Rb-Rh-Sb",
"density": 2.973080197626662,
"density_atomic": 0.03248854873195069,
"volume": 554.0413684991105,
"volume_molar": 18.536195044248185,
"formula_full": "Rb4 Sb1 Rh1 Cl12",
"formula_reduced": "Rb4SbRhCl12",
"formula_anonymous": "ABC4D12",
"energy": -68.18659398999999,
"energy_per_atom": -3.788144110555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.81859399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.553000Z",
"spacegroup": 123
},
{
"id": "mp-1260941",
"created_at": "2022-09-04T14:40:33.995375Z",
"structure_string": "K2 Mn4 Zn6 Si24 O60\n1.0\n10.299885 -0.011124 -0.059852\n-5.159631 8.904008 0.050792\n-0.082510 0.033168 14.566264\nK Mn Zn Si O\n2 4 6 24 60\ndirect\n0.005059 0.005945 0.250561 K\n0.995020 0.993636 0.750574 K\n0.336701 0.670310 0.250524 Mn\n0.329991 0.662152 0.750537 Mn\n0.669508 0.336914 0.250487 Mn\n0.663670 0.329916 0.750492 Mn\n0.998105 0.502129 0.751142 Zn\n0.499375 0.002246 0.250831 Zn\n0.500245 0.997520 0.750368 Zn\n0.504651 0.504086 0.750078 Zn\n0.002104 0.498513 0.250425 Zn\n0.495526 0.495977 0.250315 Zn\n0.238685 0.889091 0.393252 Si\n0.239448 0.352023 0.106054 Si\n0.884203 0.235344 0.890321 Si\n0.645032 0.883296 0.892912 Si\n0.351223 0.239815 0.394746 Si\n0.764297 0.650591 0.111685 Si\n0.764187 0.115892 0.391066 Si\n0.648892 0.760381 0.606341 Si\n0.649255 0.887384 0.109753 Si\n0.889226 0.239327 0.107240 Si\n0.236334 0.882993 0.610169 Si\n0.110640 0.761252 0.893690 Si\n0.115658 0.354586 0.394092 Si\n0.350256 0.112945 0.891018 Si\n0.353945 0.115845 0.107801 Si\n0.235820 0.350650 0.889168 Si\n0.649623 0.764204 0.389434 Si\n0.349922 0.235040 0.611677 Si\n0.113643 0.350604 0.610933 Si\n0.885095 0.646066 0.607203 Si\n0.760192 0.648159 0.894646 Si\n0.115973 0.764198 0.110645 Si\n0.886870 0.649425 0.390491 Si\n0.761563 0.110927 0.608144 Si\n0.871012 0.604115 0.498756 O\n0.274366 0.060688 0.370452 O\n0.734659 0.606968 0.003602 O\n0.505278 0.657919 0.669681 O\n0.662440 0.158906 0.326621 O\n0.342662 0.851186 0.330081 O\n0.221090 0.943593 0.133142 O\n0.498514 0.158932 0.172355 O\n0.781980 0.721222 0.630237 O\n0.395616 0.129424 0.999473 O\n0.278622 0.220541 0.865653 O\n0.734535 0.127099 0.499207 O\n0.266489 0.871710 0.502060 O\n0.216399 0.273501 0.635280 O\n0.605635 0.734424 0.497417 O\n0.213845 0.941184 0.869192 O\n0.655997 0.147204 0.670713 O\n0.843215 0.501911 0.671427 O\n0.159038 0.499476 0.329578 O\n0.060453 0.273921 0.130214 O\n0.154639 0.494851 0.675321 O\n0.602881 0.869589 0.001303 O\n0.277831 0.055448 0.635860 O\n0.278322 0.218706 0.130298 O\n0.725481 0.783896 0.134693 O\n0.160186 0.662722 0.175306 O\n0.341948 0.495549 0.169682 O\n0.851727 0.343921 0.170087 O\n0.393119 0.265122 0.503654 O\n0.943303 0.222167 0.368741 O\n0.217207 0.277826 0.370922 O\n0.722485 0.782322 0.870092 O\n0.940846 0.218469 0.633569 O\n0.938856 0.724241 0.870265 O\n0.338388 0.496544 0.824601 O\n0.150073 0.658052 0.830614 O\n0.726002 0.944148 0.365716 O\n0.782903 0.059900 0.131976 O\n0.492378 0.149431 0.827619 O\n0.265691 0.395177 0.997184 O\n0.780533 0.722565 0.365759 O\n0.336559 0.836987 0.675157 O\n0.058873 0.784462 0.368477 O\n0.944022 0.724345 0.135922 O\n0.842311 0.337999 0.826066 O\n0.506126 0.848203 0.173672 O\n0.660621 0.506211 0.175618 O\n0.504150 0.661719 0.324903 O\n0.776194 0.056093 0.867518 O\n0.727670 0.939735 0.630787 O\n0.494326 0.339063 0.675583 O\n0.057179 0.779625 0.632473 O\n0.656593 0.504406 0.831619 O\n0.873202 0.266008 0.998328 O\n0.499408 0.837917 0.827899 O\n0.130147 0.396832 0.502683 O\n0.848382 0.506428 0.326729 O\n0.055847 0.273097 0.865258 O\n0.494424 0.343097 0.331513 O\n0.127386 0.733816 0.002575 O\n",
"nsites": 96,
"nelements": 5,
"elements": [
"K",
"Mn",
"Zn",
"Si",
"O"
],
"chemical_system": "K-Mn-O-Si-Zn",
"density": 2.8912514513025434,
"density_atomic": 0.07191071778202826,
"volume": 1334.9887605209258,
"volume_molar": 8.374468988411403,
"formula_full": "K2 Mn4 Zn6 Si24 O60",
"formula_reduced": "KMn2Zn3(Si2O5)6",
"formula_anonymous": "AB2C3D12E30",
"energy": -755.1614151,
"energy_per_atom": -7.866264740625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -707.2694151,
"band_gap": 0.0048999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.006000Z",
"spacegroup": 15
},
{
"id": "mp-865152",
"created_at": "2022-09-04T14:40:33.996435Z",
"structure_string": "Mg1 Al1 Pd2\n1.0\n0.000000 3.123252 3.123252\n3.123252 0.000000 3.123252\n3.123252 3.123252 0.000000\nMg Al Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Pd"
],
"chemical_system": "Al-Mg-Pd",
"density": 7.197970484502064,
"density_atomic": 0.0656460977965153,
"volume": 60.93279165501795,
"volume_molar": 9.173646206156787,
"formula_full": "Mg1 Al1 Pd2",
"formula_reduced": "MgAlPd2",
"formula_anonymous": "ABC2",
"energy": -19.04068095,
"energy_per_atom": -4.7601702375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.04068095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.470000Z",
"spacegroup": 225
},
{
"id": "mp-1360164",
"created_at": "2022-09-04T14:40:34.004409Z",
"structure_string": "Al8 Fe6 O24\n1.0\n2.885436 4.998729 0.000000\n-2.885436 4.998729 0.000000\n0.000000 0.062851 14.187473\nAl Fe O\n8 6 24\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.838026 0.328654 0.331233 Al\n0.161974 0.671346 0.668767 Al\n0.000000 0.500000 0.000000 Al\n0.328654 0.838026 0.331233 Al\n0.671346 0.161974 0.668767 Al\n0.500000 0.500000 0.500000 Al\n0.498487 0.498487 0.125062 Fe\n0.835365 0.835365 0.459002 Fe\n0.165559 0.165559 0.787793 Fe\n0.501513 0.501513 0.874938 Fe\n0.834441 0.834441 0.212207 Fe\n0.164635 0.164635 0.540998 Fe\n0.325165 0.325165 0.070221 O\n0.651832 0.651832 0.415496 O\n0.993348 0.993348 0.737566 O\n0.154081 0.674353 0.930700 O\n0.500857 0.974562 0.255595 O\n0.802634 0.324117 0.579917 O\n0.674353 0.154081 0.930700 O\n0.974562 0.500857 0.255595 O\n0.324117 0.802634 0.579917 O\n0.833772 0.833772 0.073063 O\n0.155402 0.155402 0.407239 O\n0.483997 0.483997 0.741648 O\n0.325647 0.845919 0.069300 O\n0.675883 0.197366 0.420083 O\n0.025438 0.499143 0.744405 O\n0.166228 0.166228 0.926937 O\n0.516003 0.516003 0.258352 O\n0.844598 0.844598 0.592761 O\n0.674835 0.674835 0.929779 O\n0.006652 0.006652 0.262434 O\n0.348168 0.348168 0.584504 O\n0.845919 0.325647 0.069300 O\n0.197366 0.675883 0.420083 O\n0.499143 0.025438 0.744405 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 3.7932533396796,
"density_atomic": 0.09284906064277644,
"volume": 409.26639146301756,
"volume_molar": 6.485946888756721,
"formula_full": "Al8 Fe6 O24",
"formula_reduced": "Al4(FeO4)3",
"formula_anonymous": "A3B4C12",
"energy": -286.58657211,
"energy_per_atom": -7.541751897631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.56257211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0008426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.658000Z",
"spacegroup": 12
},
{
"id": "mp-1079393",
"created_at": "2022-09-04T14:40:34.008662Z",
"structure_string": "Co6 Si2\n1.0\n2.488235 -4.309750 0.000000\n2.488235 4.309750 0.000000\n0.000000 0.000000 3.972794\nCo Si\n6 2\ndirect\n0.832528 0.167472 0.250000 Co\n0.832528 0.665056 0.250000 Co\n0.334944 0.167472 0.250000 Co\n0.167472 0.832528 0.750000 Co\n0.167472 0.334944 0.750000 Co\n0.665056 0.832528 0.750000 Co\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Si"
],
"chemical_system": "Co-Si",
"density": 7.985827454991447,
"density_atomic": 0.09389024493539987,
"volume": 85.2058699549065,
"volume_molar": 6.414021780583773,
"formula_full": "Co6 Si2",
"formula_reduced": "Co3Si",
"formula_anonymous": "AB3",
"energy": -55.55127831,
"energy_per_atom": -6.94390978875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.69327831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000324,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.742000Z",
"spacegroup": 194
},
{
"id": "mp-1521542",
"created_at": "2022-09-04T14:40:34.184013Z",
"structure_string": "Ca1 Nd1 Hf1 Ti1 O6\n1.0\n0.000000 -4.012858 -4.012858\n4.012858 -0.000000 -4.012858\n4.012858 -4.012858 0.000000\nCa Nd Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.745323 0.254677 0.254677 O\n0.254677 0.745323 0.745323 O\n0.745323 0.254677 0.745323 O\n0.254677 0.745323 0.254677 O\n0.745323 0.745323 0.254677 O\n0.254677 0.254677 0.745323 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Nd",
"Hf",
"Ti",
"O"
],
"chemical_system": "Ca-Hf-Nd-O-Ti",
"density": 6.510072582771615,
"density_atomic": 0.07737641933603714,
"volume": 129.23834012751504,
"volume_molar": 7.782914758366519,
"formula_full": "Ca1 Nd1 Hf1 Ti1 O6",
"formula_reduced": "CaNdHfTiO6",
"formula_anonymous": "ABCDE6",
"energy": -89.55921767,
"energy_per_atom": -8.955921767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.43721767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.176000Z",
"spacegroup": 216
},
{
"id": "mp-1095231",
"created_at": "2022-09-04T14:40:34.184901Z",
"structure_string": "Ba3 Li4 Bi4\n1.0\n-2.577922 3.929532 8.421062\n2.577922 -3.929532 8.421062\n2.577922 3.929532 -8.421062\nBa Li Bi\n3 4 4\ndirect\n0.631398 0.131398 0.500000 Ba\n0.368602 0.868602 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.980102 0.674951 0.305151 Li\n0.019898 0.325049 0.694849 Li\n0.630200 0.325049 0.305151 Li\n0.369800 0.674951 0.694849 Li\n0.786451 0.786451 0.000000 Bi\n0.213549 0.213549 0.000000 Bi\n0.692695 0.500000 0.192695 Bi\n0.307305 0.500000 0.807305 Bi\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Bi"
],
"chemical_system": "Ba-Bi-Li",
"density": 6.207958764304602,
"density_atomic": 0.03223704506821865,
"volume": 341.22234146219887,
"volume_molar": 18.680808824928597,
"formula_full": "Ba3 Li4 Bi4",
"formula_reduced": "Ba3(LiBi)4",
"formula_anonymous": "A3B4C4",
"energy": -37.42536781,
"energy_per_atom": -3.4023061645454544,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.42536781,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003147,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.689000Z",
"spacegroup": 71
},
{
"id": "mp-862705",
"created_at": "2022-09-04T14:40:34.218629Z",
"structure_string": "Al1 Zn1 Ir2\n1.0\n0.000000 3.027900 3.027900\n3.027900 0.000000 3.027900\n3.027900 3.027900 0.000000\nAl Zn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Zn",
"Ir"
],
"chemical_system": "Al-Ir-Zn",
"density": 14.261102951562068,
"density_atomic": 0.07204525979220427,
"volume": 55.52065481527799,
"volume_molar": 8.358829959624398,
"formula_full": "Al1 Zn1 Ir2",
"formula_reduced": "AlZnIr2",
"formula_anonymous": "ABC2",
"energy": -25.10639495,
"energy_per_atom": -6.2765987375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.10639495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.806000Z",
"spacegroup": 225
},
{
"id": "mp-1220620",
"created_at": "2022-09-04T14:40:34.589529Z",
"structure_string": "Nb3 W1 S8\n1.0\n-1.658678 -2.872915 0.000000\n3.317357 0.000000 0.000000\n0.000000 -1.915276 25.479638\nNb W S\n3 1 8\ndirect\n0.999969 0.999985 0.000046 Nb\n0.499980 0.249990 0.250030 Nb\n0.999970 0.499985 0.500044 Nb\n0.499939 0.749969 0.750092 W\n0.873343 0.436671 0.689986 S\n0.374788 0.687394 0.937818 S\n0.874800 0.937400 0.187800 S\n0.374724 0.187362 0.437914 S\n0.291834 0.645917 0.062249 S\n0.791744 0.895872 0.312384 S\n0.291743 0.145871 0.562386 S\n0.793167 0.396583 0.810250 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"W",
"S"
],
"chemical_system": "Nb-S-W",
"density": 4.917196303602844,
"density_atomic": 0.04941661630470546,
"volume": 242.83329975503318,
"volume_molar": 12.186469269500694,
"formula_full": "Nb3 W1 S8",
"formula_reduced": "Nb3WS8",
"formula_anonymous": "AB3C8",
"energy": -91.74289359,
"energy_per_atom": -7.6452411325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.71889359,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5620988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.093000Z",
"spacegroup": 160
}
]
}