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=-formula_anonymous&page=12147",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12145",
"results": [
{
"id": "mp-684673",
"created_at": "2022-09-04T14:43:07.186362Z",
"structure_string": "S1\n1.0\n0.000000 1.993812 1.993812\n1.993812 0.000000 1.993812\n1.993812 1.993812 0.000000\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.3589050667306677,
"density_atomic": 0.06308373341125703,
"volume": 15.851947022234326,
"volume_molar": 9.546265628795794,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -2.83516414,
"energy_per_atom": -2.83516414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.83516414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.117000Z",
"spacegroup": 225
},
{
"id": "mp-1186081",
"created_at": "2022-09-04T14:42:59.947415Z",
"structure_string": "Na29\n1.0\n-6.510913 6.510913 6.510913\n6.510913 -6.510913 6.510913\n6.510913 6.510913 -6.510913\nNa\n29\ndirect\n0.000000 0.000000 0.000000 Na\n0.635887 0.000000 0.000000 Na\n0.373004 0.189566 0.000000 Na\n0.189566 0.373004 0.000000 Na\n0.682170 0.403870 0.000000 Na\n0.000000 0.635887 0.000000 Na\n0.403870 0.682169 0.000000 Na\n0.810434 0.810434 0.183438 Na\n0.373004 0.000000 0.189566 Na\n0.000000 0.373004 0.189566 Na\n0.596130 0.596130 0.278300 Na\n0.721700 0.317830 0.317830 Na\n0.317830 0.721700 0.317830 Na\n0.364113 0.364113 0.364113 Na\n0.189566 0.000000 0.373004 Na\n0.000000 0.189566 0.373004 Na\n0.682170 0.000000 0.403870 Na\n0.000000 0.682170 0.403870 Na\n0.596130 0.278300 0.596130 Na\n0.278300 0.596130 0.596130 Na\n0.816562 0.626996 0.626996 Na\n0.626996 0.816562 0.626996 Na\n0.000000 0.000000 0.635887 Na\n0.403870 0.000000 0.682170 Na\n0.000000 0.403870 0.682170 Na\n0.317830 0.317830 0.721700 Na\n0.810434 0.183438 0.810434 Na\n0.183438 0.810434 0.810434 Na\n0.626996 0.626996 0.816562 Na\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.002757779700991,
"density_atomic": 0.02626711223624468,
"volume": 1104.0421854970546,
"volume_molar": 22.92654291738377,
"formula_full": "Na29",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -38.35323351,
"energy_per_atom": -1.3225252934482759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.35323351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.133000Z",
"spacegroup": 217
},
{
"id": "mp-87",
"created_at": "2022-09-04T14:42:58.230891Z",
"structure_string": "Be2\n1.0\n1.129913 -1.957066 0.000000\n1.129913 1.957066 0.000000\n0.000000 0.000000 3.569878\nBe\n2\ndirect\n0.333333 0.666667 0.250000 Be\n0.666667 0.333333 0.750000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8957243972113282,
"density_atomic": 0.12667652701774118,
"volume": 15.788244650249197,
"volume_molar": 4.753951581855882,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy": -7.47882573,
"energy_per_atom": -3.739412865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.47882573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.795000Z",
"spacegroup": 194
},
{
"id": "mp-119",
"created_at": "2022-09-04T14:43:00.408254Z",
"structure_string": "Se1\n1.0\n-1.723875 1.723875 1.723875\n1.723875 -1.723875 1.723875\n1.723875 1.723875 -1.723875\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 6.398511154134527,
"density_atomic": 0.04880032274309051,
"volume": 20.49166775524219,
"volume_molar": 12.34037076292217,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -2.90028467,
"energy_per_atom": -2.90028467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.90028467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026801,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.071000Z",
"spacegroup": 229
},
{
"id": "mp-1244933",
"created_at": "2022-09-04T14:42:28.270802Z",
"structure_string": "Si100\n1.0\n12.370372 -1.714773 -1.131777\n-1.745191 12.145069 1.280223\n-1.220097 1.347408 12.404613\nSi\n100\ndirect\n0.087527 0.219204 0.418405 Si\n0.123744 0.760885 0.345439 Si\n0.698029 0.271987 0.377192 Si\n0.699869 0.017957 0.318968 Si\n0.051784 0.032411 0.576180 Si\n0.270331 0.502552 0.341587 Si\n0.866583 0.913924 0.734059 Si\n0.798756 0.805528 0.496951 Si\n0.430632 0.357973 0.518096 Si\n0.411735 0.505295 0.616779 Si\n0.592646 0.300217 0.616755 Si\n0.146290 0.607776 0.559287 Si\n0.597438 0.946999 0.044972 Si\n0.721151 0.058314 0.621902 Si\n0.488975 0.294664 0.877119 Si\n0.866630 0.198443 0.188450 Si\n0.327673 0.074702 0.695273 Si\n0.565131 0.267866 0.092292 Si\n0.434364 0.857172 0.270596 Si\n0.227873 0.493428 0.992443 Si\n0.610235 0.575108 0.616468 Si\n0.529825 0.775330 0.181540 Si\n0.448560 0.003356 0.479942 Si\n0.726616 0.592429 0.481293 Si\n0.506739 0.173206 0.333624 Si\n0.852873 0.007297 0.533380 Si\n0.022688 0.557479 0.152499 Si\n0.361053 0.281229 0.704309 Si\n0.909917 0.384750 0.073738 Si\n0.201922 0.446727 0.521964 Si\n0.738990 0.393778 0.513309 Si\n0.597355 0.630356 0.319117 Si\n0.628111 0.774797 0.574139 Si\n0.006545 0.834217 0.187248 Si\n0.919786 0.587521 0.794831 Si\n0.188947 0.324891 0.709367 Si\n0.971621 0.784064 0.712241 Si\n0.677931 0.587787 0.186437 Si\n0.663774 0.862258 0.730648 Si\n0.805486 0.773158 0.170723 Si\n0.374444 0.137731 0.995004 Si\n0.560178 0.905844 0.428439 Si\n0.229581 0.879195 0.072107 Si\n0.224186 0.045953 0.516960 Si\n0.209710 0.673410 0.123565 Si\n0.280714 0.702937 0.323217 Si\n0.782478 0.872887 0.304435 Si\n0.655759 0.316225 0.805924 Si\n0.937643 0.971736 0.913315 Si\n0.003756 0.357206 0.462932 Si\n0.592922 0.998515 0.808427 Si\n0.251132 0.937115 0.397289 Si\n0.532271 0.101755 0.631920 Si\n0.866724 0.178911 0.727690 Si\n0.187560 0.512156 0.746411 Si\n0.731582 0.420413 0.054061 Si\n0.984209 0.933175 0.327459 Si\n0.982216 0.308332 0.954562 Si\n0.126676 0.634322 0.933336 Si\n0.741850 0.603323 0.940599 Si\n0.400529 0.822217 0.635747 Si\n0.399088 0.955374 0.986285 Si\n0.842703 0.178125 0.387301 Si\n0.722349 0.519470 0.784047 Si\n0.000142 0.441900 0.779155 Si\n0.048006 0.034688 0.097704 Si\n0.082378 0.870789 0.914797 Si\n0.442540 0.727580 0.903407 Si\n0.948588 0.508837 0.324130 Si\n0.141953 0.035747 0.764102 Si\n0.452724 0.337364 0.212355 Si\n0.058131 0.167223 0.812039 Si\n0.377564 0.899321 0.811413 Si\n0.745962 0.162165 0.858152 Si\n0.502099 0.513133 0.082043 Si\n0.034896 0.131417 0.253221 Si\n0.346290 0.673787 0.521909 Si\n0.659746 0.111955 0.134351 Si\n0.762359 0.434348 0.244182 Si\n0.140221 0.322557 0.103380 Si\n0.284700 0.380267 0.896476 Si\n0.006768 0.833039 0.520574 Si\n0.384973 0.608619 0.763100 Si\n0.195226 0.800105 0.600932 Si\n0.763549 0.896963 0.003778 Si\n0.953811 0.671221 0.972723 Si\n0.439216 0.055826 0.191433 Si\n0.281144 0.235658 0.415353 Si\n0.385050 0.636834 0.079814 Si\n0.192314 0.188636 0.985170 Si\n0.238864 0.022601 0.201201 Si\n0.268804 0.221757 0.223167 Si\n0.642858 0.750104 0.909351 Si\n0.445337 0.467144 0.336085 Si\n0.104444 0.391152 0.254441 Si\n0.869698 0.115372 0.022209 Si\n0.910298 0.359812 0.615153 Si\n0.172995 0.792798 0.791733 Si\n0.978013 0.641187 0.449073 Si\n0.479965 0.478370 0.899187 Si\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.5999541580633005,
"density_atomic": 0.05574866003744035,
"volume": 1793.7650866019167,
"volume_molar": 10.802305841890332,
"formula_full": "Si100",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -507.60265714,
"energy_per_atom": -5.0760265714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -507.60265714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.824000Z",
"spacegroup": 1
},
{
"id": "mp-999501",
"created_at": "2022-09-04T14:42:24.205166Z",
"structure_string": "Na4\n1.0\n2.306607 -3.995160 0.000000\n2.306607 3.995160 0.000000\n0.000000 0.000000 8.660129\nNa\n4\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.9567127508790888,
"density_atomic": 0.025060968574764763,
"volume": 159.6107504012361,
"volume_molar": 24.029960143136755,
"formula_full": "Na4",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -4.79422453,
"energy_per_atom": -1.1985561325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79422453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.965000Z",
"spacegroup": 194
},
{
"id": "mp-1245170",
"created_at": "2022-09-04T14:42:26.353972Z",
"structure_string": "Ti100\n1.0\n11.902415 0.205527 -0.094095\n0.208385 12.429398 0.385047\n-0.082862 0.388372 11.903778\nTi\n100\ndirect\n0.086608 0.126241 0.660658 Ti\n0.694332 0.816980 0.054861 Ti\n0.345882 0.640606 0.154472 Ti\n0.388011 0.476711 0.324926 Ti\n0.509552 0.155111 0.575218 Ti\n0.558452 0.710131 0.217870 Ti\n0.455555 0.558417 0.686023 Ti\n0.165355 0.517408 0.809301 Ti\n0.923265 0.707158 0.965441 Ti\n0.802982 0.792142 0.271984 Ti\n0.040857 0.116395 0.291930 Ti\n0.872924 0.736197 0.582540 Ti\n0.147935 0.784516 0.532352 Ti\n0.519139 0.317592 0.727975 Ti\n0.243881 0.612659 0.616209 Ti\n0.568170 0.322768 0.300974 Ti\n0.802825 0.027262 0.264673 Ti\n0.326029 0.176534 0.984889 Ti\n0.288082 0.769592 0.814254 Ti\n0.751612 0.319323 0.477509 Ti\n0.893735 0.116671 0.088589 Ti\n0.678633 0.644600 0.954750 Ti\n0.427387 0.950572 0.733614 Ti\n0.261302 0.126161 0.240266 Ti\n0.107159 0.027689 0.089149 Ti\n0.563007 0.421507 0.523417 Ti\n0.693416 0.221179 0.144499 Ti\n0.797697 0.917604 0.467178 Ti\n0.542982 0.503366 0.105880 Ti\n0.350266 0.417815 0.568192 Ti\n0.168476 0.661668 0.985258 Ti\n0.911705 0.969090 0.679036 Ti\n0.774076 0.442919 0.951880 Ti\n0.125936 0.255784 0.104326 Ti\n0.393766 0.577650 0.916225 Ti\n0.164194 0.315401 0.314834 Ti\n0.376094 0.266042 0.407765 Ti\n0.677571 0.706441 0.426553 Ti\n0.457076 0.629606 0.465856 Ti\n0.494416 0.134533 0.136227 Ti\n0.755704 0.414007 0.178149 Ti\n0.203738 0.931068 0.350897 Ti\n0.591285 0.928900 0.230826 Ti\n0.791571 0.613208 0.156391 Ti\n0.471654 0.976016 0.969459 Ti\n0.452341 0.761809 0.012379 Ti\n0.882584 0.120941 0.491848 Ti\n0.364713 0.939150 0.140063 Ti\n0.535724 0.131266 0.833727 Ti\n0.628282 0.527709 0.323760 Ti\n0.844709 0.594261 0.775229 Ti\n0.904986 0.215433 0.711668 Ti\n0.311496 0.167053 0.716772 Ti\n0.054625 0.888927 0.892165 Ti\n0.688650 0.042030 0.038890 Ti\n0.845472 0.019584 0.880136 Ti\n0.862564 0.254018 0.296268 Ti\n0.151519 0.487620 0.436682 Ti\n0.738900 0.369217 0.715025 Ti\n0.562350 0.904907 0.461930 Ti\n0.336558 0.006935 0.529452 Ti\n0.519117 0.746621 0.803444 Ti\n0.010506 0.547285 0.601829 Ti\n0.811378 0.801326 0.805086 Ti\n0.189056 0.929607 0.686181 Ti\n0.937109 0.296259 0.988219 Ti\n0.152979 0.341358 0.631639 Ti\n0.167358 0.827311 0.130502 Ti\n0.401243 0.830582 0.341792 Ti\n0.370791 0.320602 0.165158 Ti\n0.602180 0.514274 0.821741 Ti\n0.248124 0.986746 0.902771 Ti\n0.771467 0.536159 0.564061 Ti\n0.718955 0.147201 0.664982 Ti\n0.233960 0.440884 0.017134 Ti\n0.650560 0.709493 0.647949 Ti\n0.231084 0.689172 0.351630 Ti\n0.003980 0.507039 0.987495 Ti\n0.911246 0.893946 0.086006 Ti\n0.388520 0.791810 0.585944 Ti\n0.050077 0.712343 0.758611 Ti\n0.001875 0.884006 0.290347 Ti\n0.640749 0.930275 0.853018 Ti\n0.038941 0.970090 0.495291 Ti\n0.862522 0.507492 0.362244 Ti\n0.154093 0.290739 0.859308 Ti\n0.349400 0.374152 0.825861 Ti\n0.012529 0.676351 0.174830 Ti\n-0.000036 0.675031 0.400281 Ti\n0.978364 0.329289 0.494799 Ti\n0.742584 0.226243 0.896871 Ti\n0.658531 0.944625 0.643216 Ti\n0.537981 0.318134 0.976912 Ti\n0.044942 0.112333 0.882458 Ti\n0.176133 0.520027 0.212394 Ti\n0.982725 0.417680 0.195696 Ti\n0.182826 0.167744 0.478033 Ti\n0.659340 0.124949 0.408358 Ti\n0.445893 0.063635 0.345627 Ti\n0.962124 0.402618 0.780679 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.519680942989807,
"density_atomic": 0.05686204449491334,
"volume": 1758.642357802411,
"volume_molar": 10.590791825184404,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -772.5877728,
"energy_per_atom": -7.725877728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -772.5877728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.148000Z",
"spacegroup": 1
},
{
"id": "mp-639727",
"created_at": "2022-09-04T14:42:26.535587Z",
"structure_string": "Cs4\n1.0\n2.737034 -4.740682 0.000000\n2.737034 4.740682 0.000000\n0.000000 0.000000 17.755878\nCs\n4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.500000 Cs\n0.666667 0.333333 0.750000 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9158377244386975,
"density_atomic": 0.008680941442910832,
"volume": 460.7795164044728,
"volume_molar": 69.37197767781161,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.47676184,
"energy_per_atom": -0.86919046,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.47676184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0110273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.431000Z",
"spacegroup": 194
},
{
"id": "mp-117",
"created_at": "2022-09-04T14:40:58.564852Z",
"structure_string": "Sn2\n1.0\n0.000000 3.323134 3.323134\n3.323134 0.000000 3.323134\n3.323134 3.323134 0.000000\nSn\n2\ndirect\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 5.371466121024904,
"density_atomic": 0.027249368275260595,
"volume": 73.39619692452754,
"volume_molar": 22.100111456409202,
"formula_full": "Sn2",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -8.01914371,
"energy_per_atom": -4.009571855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.01914371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002878,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.260000Z",
"spacegroup": 227
},
{
"id": "mp-10631",
"created_at": "2022-09-04T14:40:59.500139Z",
"structure_string": "Sb1\n1.0\n-1.572519 1.572519 2.849152\n1.572519 -1.572519 2.849152\n1.572519 1.572519 -2.849152\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.17441217194662,
"density_atomic": 0.03548400130145425,
"volume": 28.18171466922522,
"volume_molar": 16.971425259623114,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8270613,
"energy_per_atom": -3.8270613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8270613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.956000Z",
"spacegroup": 139
},
{
"id": "mp-1245067",
"created_at": "2022-09-04T14:40:58.399472Z",
"structure_string": "Al100\n1.0\n11.949980 0.464068 0.763081\n0.473635 12.322697 -0.289681\n0.787323 -0.292709 12.246149\nAl\n100\ndirect\n0.009674 0.737446 0.304327 Al\n0.357928 0.032694 0.358222 Al\n0.648360 0.408836 0.628776 Al\n0.497407 0.690001 0.921415 Al\n0.812846 0.309185 0.000476 Al\n0.786400 0.858633 0.939195 Al\n0.988085 0.314677 0.306242 Al\n0.313129 0.178240 0.705299 Al\n0.946273 0.525485 0.263969 Al\n0.253047 0.047902 0.172302 Al\n0.371880 0.305206 0.956101 Al\n0.736067 0.621816 0.214009 Al\n0.749032 0.660165 0.646162 Al\n0.105380 0.463619 0.444865 Al\n0.144008 0.010556 0.988270 Al\n0.703417 0.659949 0.000582 Al\n0.184950 0.430053 0.227133 Al\n0.181656 0.213700 0.897314 Al\n0.722954 0.024443 0.189848 Al\n0.128196 0.226234 0.125416 Al\n0.687517 0.689546 0.432719 Al\n0.675857 0.161693 0.782155 Al\n0.150443 0.775188 0.952140 Al\n0.363882 0.375093 0.357535 Al\n0.022055 0.238255 0.500379 Al\n0.678708 0.534884 0.818740 Al\n0.925062 0.960242 0.064773 Al\n0.129938 0.981874 0.361376 Al\n0.803810 0.207402 0.590182 Al\n0.252989 0.412563 0.783776 Al\n0.450755 0.676959 0.479117 Al\n0.417193 0.835166 0.245495 Al\n0.788891 0.205525 0.367390 Al\n0.089516 0.715258 0.728635 Al\n0.391746 0.855797 0.825855 Al\n0.633194 0.830012 0.141533 Al\n0.541950 0.149244 0.975985 Al\n0.605948 0.345867 0.914507 Al\n0.893676 0.510058 0.043122 Al\n0.897981 0.180164 0.153224 Al\n0.195490 0.087579 0.542451 Al\n0.418070 0.438808 0.139019 Al\n0.721707 0.970582 0.648048 Al\n0.093382 0.610273 0.114367 Al\n0.303678 0.793651 0.643877 Al\n0.018123 0.912478 0.845594 Al\n0.295944 0.586567 0.364846 Al\n0.584248 0.325554 0.407112 Al\n0.798221 0.826005 0.277786 Al\n0.036031 0.501029 0.684849 Al\n0.943218 0.032535 0.513325 Al\n0.393900 0.211969 0.492804 Al\n0.102206 0.703461 0.494800 Al\n0.491271 0.646825 0.140707 Al\n0.562300 0.825172 0.601453 Al\n0.519473 0.627654 0.681894 Al\n0.644027 0.465292 0.090034 Al\n0.436552 0.444842 0.572274 Al\n0.278936 0.833849 0.434565 Al\n0.406631 0.989839 0.570337 Al\n0.103142 0.884149 0.162291 Al\n0.627926 0.241542 0.163204 Al\n0.297387 0.643564 0.802527 Al\n0.888632 0.059268 0.746474 Al\n0.310057 0.591358 0.021346 Al\n0.505463 0.033115 0.760555 Al\n0.557625 0.882917 0.386932 Al\n0.335851 0.848548 0.046773 Al\n0.087853 0.902231 0.609184 Al\n0.218496 0.994484 0.755300 Al\n0.059158 0.198757 0.715412 Al\n0.002879 0.369254 0.868479 Al\n0.813505 0.333764 0.775898 Al\n0.630612 0.825446 0.803405 Al\n0.913223 0.735049 0.067724 Al\n0.488439 0.012558 0.137522 Al\n0.591793 0.145800 0.568368 Al\n0.875757 0.638879 0.832361 Al\n0.244757 0.566708 0.594761 Al\n0.158599 0.409976 0.011714 Al\n0.205839 0.220260 0.345692 Al\n0.242451 0.719978 0.216090 Al\n0.484489 0.290898 0.731710 Al\n0.081085 0.574142 0.895269 Al\n0.912399 0.602361 0.476432 Al\n0.732398 0.999722 0.430035 Al\n0.877223 0.824191 0.715763 Al\n0.354643 0.062095 0.946450 Al\n0.742888 0.472646 0.428389 Al\n0.544434 0.522302 0.318808 Al\n0.867075 0.822588 0.494050 Al\n0.973911 0.142772 0.928679 Al\n0.881864 0.415328 0.576680 Al\n0.559440 0.115717 0.340559 Al\n0.759469 0.087402 0.973703 Al\n0.786940 0.382440 0.223069 Al\n0.451993 0.487293 0.842999 Al\n0.926427 0.011578 0.289239 Al\n0.204519 0.335460 0.582679 Al\n0.384841 0.225119 0.172429 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.5002193184969808,
"density_atomic": 0.05580361036958565,
"volume": 1791.9987495021016,
"volume_molar": 10.791668711245636,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -363.12671435,
"energy_per_atom": -3.6312671434999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.12671435,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.476000Z",
"spacegroup": 1
},
{
"id": "mp-84",
"created_at": "2022-09-04T14:40:58.853380Z",
"structure_string": "Sn2\n1.0\n-2.954004 2.954004 1.622811\n2.954004 -2.954004 1.622811\n2.954004 2.954004 -1.622811\nSn\n2\ndirect\n0.250000 0.750000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 6.960113244181162,
"density_atomic": 0.035308551660756526,
"volume": 56.643501529486066,
"volume_molar": 17.05575696749202,
"formula_full": "Sn2",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -7.9481205,
"energy_per_atom": -3.97406025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.9481205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002352,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.950000Z",
"spacegroup": 141
}
]
}