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=18",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=16",
"results": [
{
"id": "mp-149",
"created_at": "2022-09-04T14:43:49.600359Z",
"structure_string": "Si2\n1.0\n0.000000 2.734364 2.734364\n2.734364 0.000000 2.734364\n2.734364 2.734364 0.000000\nSi\n2\ndirect\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.2811942835376744,
"density_atomic": 0.048913756497547395,
"volume": 40.88829284866483,
"volume_molar": 12.31175274853805,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -10.85062804,
"energy_per_atom": -5.42531402,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.85062804,
"band_gap": 0.6105,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.691000Z",
"spacegroup": 227
},
{
"id": "mp-10660",
"created_at": "2022-09-04T14:41:03.979800Z",
"structure_string": "Tm1\n1.0\n0.000000 2.466474 2.466474\n2.466474 0.000000 2.466474\n2.466474 2.466474 0.000000\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.347749844983595,
"density_atomic": 0.03332271502332962,
"volume": 30.009559524183082,
"volume_molar": 18.072179160022916,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -4.44439962,
"energy_per_atom": -4.44439962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.44439962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.174000Z",
"spacegroup": 225
},
{
"id": "mp-169",
"created_at": "2022-09-04T14:42:24.446100Z",
"structure_string": "C2\n1.0\n4.083008 -1.234177 0.000000\n4.083008 1.234177 0.000000\n3.709952 0.000000 2.104853\nC\n2\ndirect\n0.166668 0.166668 0.166668 C\n0.833332 0.833332 0.833332 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8803468488618567,
"density_atomic": 0.09428021185594328,
"volume": 21.213359204749423,
"volume_molar": 6.387491756172134,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.45088693,
"energy_per_atom": -9.225443465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.45088693,
"band_gap": 0.5311999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.163000Z",
"spacegroup": 166
},
{
"id": "mp-1193227",
"created_at": "2022-09-04T14:43:08.956862Z",
"structure_string": "Co28\n1.0\n8.367035 0.000000 0.000000\n0.000000 8.367035 0.000000\n0.000000 0.000000 4.555476\nCo\n28\ndirect\n0.905962 0.094038 0.500000 Co\n0.094038 0.905962 0.500000 Co\n0.405962 0.405962 0.000000 Co\n0.594038 0.594038 0.000000 Co\n0.973270 0.361966 0.500000 Co\n0.026730 0.638034 0.500000 Co\n0.473270 0.138034 0.000000 Co\n0.526730 0.861966 0.000000 Co\n0.361966 0.973270 0.500000 Co\n0.638034 0.026730 0.500000 Co\n0.138034 0.473270 0.000000 Co\n0.861966 0.526730 0.000000 Co\n0.251739 0.444409 0.500000 Co\n0.748261 0.555591 0.500000 Co\n0.751739 0.055591 0.000000 Co\n0.248261 0.944409 0.000000 Co\n0.444409 0.251739 0.500000 Co\n0.555591 0.748261 0.500000 Co\n0.055591 0.751739 0.000000 Co\n0.944409 0.248261 0.000000 Co\n0.686348 0.313652 0.249566 Co\n0.313652 0.686348 0.249566 Co\n0.186348 0.186348 0.749566 Co\n0.813652 0.813652 0.749566 Co\n0.313652 0.686348 0.750434 Co\n0.686348 0.313652 0.750434 Co\n0.813652 0.813652 0.250434 Co\n0.186348 0.186348 0.250434 Co\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.591919137745206,
"density_atomic": 0.0877972871891984,
"volume": 318.91645968128284,
"volume_molar": 6.859142181719821,
"formula_full": "Co28",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -195.49535593,
"energy_per_atom": -6.9819769974999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.49535593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.495207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.629000Z",
"spacegroup": 136
},
{
"id": "mp-1191484",
"created_at": "2022-09-04T14:39:29.957704Z",
"structure_string": "Mn22\n1.0\n-5.575475 -5.575475 0.000000\n-5.575475 0.000000 -5.575475\n0.000000 -5.575475 -5.575475\nMn\n22\ndirect\n0.899909 0.366697 0.366697 Mn\n0.366697 0.899909 0.366697 Mn\n0.366697 0.366697 0.899909 Mn\n0.366697 0.366697 0.366697 Mn\n0.518035 0.160655 0.160655 Mn\n0.160655 0.518035 0.160655 Mn\n0.160655 0.160655 0.518035 Mn\n0.160655 0.160655 0.160655 Mn\n0.279659 0.573447 0.573447 Mn\n0.573447 0.279659 0.573447 Mn\n0.573447 0.573447 0.279659 Mn\n0.573447 0.573447 0.573447 Mn\n0.978060 0.673980 0.673980 Mn\n0.673980 0.978060 0.673980 Mn\n0.673980 0.673980 0.978060 Mn\n0.673980 0.673980 0.673980 Mn\n0.198439 0.801561 0.198439 Mn\n0.198439 0.801561 0.801561 Mn\n0.198439 0.198439 0.801561 Mn\n0.801561 0.198439 0.801561 Mn\n0.801561 0.198439 0.198439 Mn\n0.801561 0.801561 0.198439 Mn\n",
"nsites": 22,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 5.789877363368063,
"density_atomic": 0.06346686795532967,
"volume": 346.6375560786206,
"volume_molar": 9.488637070035667,
"formula_full": "Mn22",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -183.81946655,
"energy_per_atom": -8.355430297727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.81946655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9884061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.072000Z",
"spacegroup": 216
},
{
"id": "mp-1095633",
"created_at": "2022-09-04T14:40:52.566740Z",
"structure_string": "C12\n1.0\n-3.381973 3.381973 3.283491\n3.381973 -3.381973 3.283491\n3.381973 3.381973 -3.283491\nC\n12\ndirect\n0.878711 0.121289 0.000000 C\n0.121289 0.878711 0.000000 C\n0.121289 0.121289 0.242577 C\n0.878711 0.878711 0.757423 C\n0.969861 0.388287 0.000000 C\n0.388287 0.969861 0.000000 C\n0.388287 0.388287 0.418427 C\n0.969861 0.969861 0.581573 C\n0.030139 0.611713 0.000000 C\n0.611713 0.030139 0.000000 C\n0.611713 0.611713 0.581573 C\n0.030139 0.030139 0.418427 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.5931716482922207,
"density_atomic": 0.07988130520429744,
"volume": 150.22288343073325,
"volume_molar": 7.538861244941228,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -98.75893588,
"energy_per_atom": -8.229911323333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.75893588,
"band_gap": 2.5933,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.767000Z",
"spacegroup": 139
},
{
"id": "mp-1244924",
"created_at": "2022-09-04T14:40:24.563500Z",
"structure_string": "Ti100\n1.0\n12.496547 0.176865 0.229462\n0.178231 11.451386 -0.313200\n0.227478 -0.313039 12.333400\nTi\n100\ndirect\n0.990819 0.965536 0.728590 Ti\n0.587882 0.920057 0.186346 Ti\n0.408179 0.615656 0.315916 Ti\n0.266242 0.504174 0.423424 Ti\n0.526289 0.218008 0.641031 Ti\n0.603768 0.708353 0.318821 Ti\n0.286355 0.772749 0.813308 Ti\n0.165387 0.464789 0.752142 Ti\n0.940532 0.612235 0.928228 Ti\n0.799496 0.820940 0.226583 Ti\n0.023305 0.993018 0.088635 Ti\n0.881532 0.497811 0.506231 Ti\n0.073847 0.858724 0.520301 Ti\n0.621233 0.466967 0.427491 Ti\n0.274224 0.782783 0.498023 Ti\n0.588983 0.238799 0.409860 Ti\n0.893882 0.057917 0.258839 Ti\n0.255488 0.180096 0.924747 Ti\n0.420182 0.785173 0.974156 Ti\n0.884266 0.256837 0.415207 Ti\n0.717045 0.346252 0.241856 Ti\n0.628640 0.602104 0.914190 Ti\n0.592002 0.988611 0.727728 Ti\n0.219794 0.076266 0.143019 Ti\n0.019133 0.141555 0.938120 Ti\n0.687491 0.581536 0.646415 Ti\n0.564714 0.205306 0.163687 Ti\n0.752610 0.879409 0.414177 Ti\n0.436290 0.483667 0.966642 Ti\n0.283052 0.605170 0.634707 Ti\n0.170602 0.627847 0.927161 Ti\n0.890226 0.736131 0.548080 Ti\n0.707335 0.405821 0.015321 Ti\n0.201902 0.406109 0.986895 Ti\n0.447557 0.581336 0.767091 Ti\n0.081853 0.282211 0.146311 Ti\n0.441912 0.368968 0.327756 Ti\n0.762251 0.630096 0.398045 Ti\n0.436054 0.805374 0.652113 Ti\n0.443652 0.076055 0.291662 Ti\n0.540220 0.467297 0.164858 Ti\n0.253836 0.244030 0.313722 Ti\n0.693316 0.078337 0.295339 Ti\n0.767881 0.586939 0.169259 Ti\n0.420521 0.040395 0.056813 Ti\n0.556975 0.694362 0.107913 Ti\n0.797292 0.938983 0.634108 Ti\n0.376162 0.833414 0.209970 Ti\n0.476543 0.190114 0.878645 Ti\n0.484272 0.628268 0.522863 Ti\n0.966465 0.580124 0.710632 Ti\n0.814978 0.007442 0.864523 Ti\n0.428684 0.411097 0.570282 Ti\n0.186135 0.964344 0.920244 Ti\n0.791480 0.992584 0.076837 Ti\n0.764137 0.761990 0.007398 Ti\n0.076982 0.130512 0.325540 Ti\n0.083154 0.403128 0.367715 Ti\n0.848234 0.256070 0.860837 Ti\n0.454099 0.855933 0.411436 Ti\n0.137586 0.114731 0.541531 Ti\n0.589346 0.768217 0.786607 Ti\n0.085287 0.593712 0.524839 Ti\n0.816149 0.758894 0.782277 Ti\n0.207166 0.957117 0.696008 Ti\n0.857175 0.218422 0.094031 Ti\n0.196642 0.349070 0.554040 Ti\n0.193880 0.824972 0.088824 Ti\n0.254466 0.982066 0.365170 Ti\n0.373211 0.276077 0.086457 Ti\n0.799839 0.485202 0.801653 Ti\n0.400746 0.969150 0.831772 Ti\n0.736532 0.348654 0.610540 Ti\n0.699208 0.174614 0.746288 Ti\n0.319876 0.628636 0.106945 Ti\n0.643249 0.785109 0.560863 Ti\n0.199645 0.692764 0.297689 Ti\n0.015834 0.382119 0.880507 Ti\n0.970899 0.757355 0.111717 Ti\n0.393951 0.003851 0.591344 Ti\n0.098658 0.748727 0.717707 Ti\n0.062158 0.882604 0.287517 Ti\n0.605228 0.933371 0.955141 Ti\n0.932003 0.006214 0.459433 Ti\n0.913535 0.427042 0.273314 Ti\n0.308181 0.182064 0.689220 Ti\n0.362191 0.367188 0.793314 Ti\n0.089438 0.557374 0.137699 Ti\n0.960453 0.668787 0.333665 Ti\n0.986418 0.364022 0.647170 Ti\n0.670092 0.164675 0.971640 Ti\n0.579399 0.017863 0.497471 Ti\n0.592563 0.386778 0.813158 Ti\n0.997263 0.834738 0.909288 Ti\n0.258579 0.438760 0.204831 Ti\n0.921055 0.438462 0.064843 Ti\n0.916250 0.159496 0.639777 Ti\n0.747160 0.125571 0.514501 Ti\n0.369490 0.189639 0.477871 Ti\n0.112739 0.209485 0.753275 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.509259640004821,
"density_atomic": 0.05673093422374556,
"volume": 1762.7067378372828,
"volume_molar": 10.615268093856535,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -771.22051535,
"energy_per_atom": -7.7122051535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -771.22051535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9910987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.477000Z",
"spacegroup": 1
},
{
"id": "mp-1184569",
"created_at": "2022-09-04T14:39:09.125394Z",
"structure_string": "Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.312732688986728,
"density_atomic": 0.030961028912106007,
"volume": 32.29866820120413,
"volume_molar": 19.450712626818724,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27885665,
"energy_per_atom": -0.27885665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27885665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.859000Z",
"spacegroup": 166
},
{
"id": "mp-555915",
"created_at": "2022-09-04T14:39:07.452658Z",
"structure_string": "S72\n1.0\n8.261497 0.000000 0.000000\n0.000000 12.498193 0.000000\n0.000000 0.000000 22.766623\nS\n72\ndirect\n0.020789 0.699438 0.766172 S\n0.654858 0.462224 0.757583 S\n0.877310 0.563798 0.605250 S\n0.472174 0.566242 0.732582 S\n0.154858 0.037776 0.242417 S\n0.340293 0.696179 0.260619 S\n0.345142 0.962224 0.742417 S\n0.104685 0.799152 0.106607 S\n0.127473 0.496054 0.156646 S\n0.527826 0.066242 0.767418 S\n0.470982 0.800955 0.434594 S\n0.622690 0.436202 0.105250 S\n0.529018 0.300955 0.065406 S\n0.520789 0.800562 0.233828 S\n0.659707 0.196179 0.239381 S\n0.025450 0.413344 0.087558 S\n0.343256 0.935909 0.597648 S\n0.159894 0.329681 0.905311 S\n0.319553 0.008941 0.942125 S\n0.006912 0.678027 0.911134 S\n0.525450 0.086656 0.912442 S\n0.198860 0.255745 0.559160 S\n0.840106 0.829681 0.594689 S\n0.482297 0.062584 0.567780 S\n0.377310 0.936202 0.394750 S\n0.474550 0.586656 0.587558 S\n0.029018 0.199045 0.934594 S\n0.438603 0.873029 0.673724 S\n0.840293 0.803821 0.739381 S\n0.561397 0.373029 0.826276 S\n0.845142 0.537776 0.257583 S\n0.438135 0.608863 0.329258 S\n0.113952 0.761329 0.843229 S\n0.061865 0.391137 0.829258 S\n0.493088 0.321973 0.411134 S\n0.122690 0.063798 0.894750 S\n0.979211 0.199438 0.733828 S\n0.613952 0.738671 0.156771 S\n0.993088 0.178027 0.588866 S\n0.819553 0.491059 0.057875 S\n0.938603 0.626971 0.326276 S\n0.938135 0.891137 0.670742 S\n0.895315 0.299152 0.393393 S\n0.886048 0.261329 0.656771 S\n0.061397 0.126971 0.173724 S\n0.801140 0.755745 0.940840 S\n0.698860 0.244255 0.440840 S\n0.386048 0.238671 0.343229 S\n0.970982 0.699045 0.565406 S\n0.627473 0.003946 0.843354 S\n0.872527 0.996054 0.343354 S\n0.301140 0.744255 0.059160 S\n0.517703 0.562584 0.932220 S\n0.680447 0.508941 0.557875 S\n0.159707 0.303821 0.760619 S\n0.843256 0.564091 0.402352 S\n0.982297 0.437416 0.432220 S\n0.656744 0.435909 0.902352 S\n0.561865 0.108863 0.170742 S\n0.479211 0.300562 0.266172 S\n0.017703 0.937416 0.067780 S\n0.972174 0.933758 0.267418 S\n0.027826 0.433758 0.232582 S\n0.180447 0.991059 0.442125 S\n0.659894 0.170319 0.094689 S\n0.506912 0.821973 0.088866 S\n0.395315 0.200848 0.606607 S\n0.340106 0.670319 0.405311 S\n0.156744 0.064091 0.097648 S\n0.604685 0.700848 0.893393 S\n0.974550 0.913344 0.412442 S\n0.372527 0.503946 0.656646 S\n",
"nsites": 72,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.630828324773996,
"density_atomic": 0.030628653455724165,
"volume": 2350.7399730804677,
"volume_molar": 19.661787511179426,
"formula_full": "S72",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -296.34232048,
"energy_per_atom": -4.115865562222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.34232048,
"band_gap": 2.491,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.305000Z",
"spacegroup": 19
},
{
"id": "mp-1196857",
"created_at": "2022-09-04T14:39:11.168662Z",
"structure_string": "C52\n1.0\n9.105024 0.000000 0.000000\n0.000000 18.943520 0.000000\n0.000000 0.000000 5.917269\nC\n52\ndirect\n0.860296 0.788265 0.077894 C\n0.360296 0.711735 0.422106 C\n0.139704 0.288265 0.922106 C\n0.639704 0.211735 0.577894 C\n0.139704 0.211735 0.922106 C\n0.639704 0.288265 0.577894 C\n0.860296 0.711735 0.077894 C\n0.360296 0.788265 0.422106 C\n0.922058 0.840189 0.207588 C\n0.422058 0.659811 0.292412 C\n0.077942 0.340189 0.792412 C\n0.577942 0.159811 0.707588 C\n0.077942 0.159811 0.792412 C\n0.577942 0.340189 0.707588 C\n0.922058 0.659811 0.207588 C\n0.422058 0.840189 0.292412 C\n0.898630 0.905657 0.156797 C\n0.398630 0.594343 0.343203 C\n0.101370 0.405657 0.843203 C\n0.601370 0.094343 0.656797 C\n0.101370 0.094343 0.843203 C\n0.601370 0.405657 0.656797 C\n0.898630 0.594343 0.156797 C\n0.398630 0.905657 0.343203 C\n0.819340 0.926678 0.984225 C\n0.319340 0.573322 0.515775 C\n0.180660 0.426678 0.015775 C\n0.680660 0.073322 0.484225 C\n0.180660 0.073322 0.015775 C\n0.680660 0.426678 0.484225 C\n0.819340 0.573322 0.984225 C\n0.319340 0.926678 0.515775 C\n0.753751 0.885473 0.844101 C\n0.253751 0.614527 0.655899 C\n0.246249 0.385473 0.155899 C\n0.746249 0.114527 0.344101 C\n0.246249 0.114527 0.155899 C\n0.746249 0.385473 0.344101 C\n0.753751 0.614527 0.844101 C\n0.253751 0.885473 0.655899 C\n0.767227 0.813059 0.875266 C\n0.267227 0.686941 0.624734 C\n0.232773 0.313059 0.124734 C\n0.732773 0.186941 0.375266 C\n0.232773 0.186941 0.124734 C\n0.732773 0.313059 0.375266 C\n0.767227 0.686941 0.875266 C\n0.267227 0.813059 0.624734 C\n0.721100 0.750000 0.773747 C\n0.221100 0.750000 0.726253 C\n0.278900 0.250000 0.226253 C\n0.778900 0.250000 0.273747 C\n",
"nsites": 52,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0161496501694414,
"density_atomic": 0.05094953856694336,
"volume": 1020.61768295853,
"volume_molar": 11.819814132541001,
"formula_full": "C52",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -396.63443624,
"energy_per_atom": -7.627585312307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -396.63443624,
"band_gap": 0.5989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0250677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.549000Z",
"spacegroup": 62
},
{
"id": "mp-1271068",
"created_at": "2022-09-04T14:39:35.204718Z",
"structure_string": "Fe4\n1.0\n2.293357 0.088731 -0.865052\n-1.069886 2.030382 -0.865198\n2.269413 3.930027 6.418011\nFe\n4\ndirect\n0.999963 0.000038 0.499809 Fe\n0.500037 0.499962 0.750186 Fe\n0.999965 0.000036 0.999873 Fe\n0.500034 0.499965 0.250132 Fe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.109373819647873,
"density_atomic": 0.08744881481646513,
"volume": 45.741043013505404,
"volume_molar": 6.886474988413603,
"formula_full": "Fe4",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -33.81180542,
"energy_per_atom": -8.452951355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.81180542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8097568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.447000Z",
"spacegroup": 139
},
{
"id": "mp-1012110",
"created_at": "2022-09-04T14:46:10.006807Z",
"structure_string": "Cs4\n1.0\n5.354405 0.000000 0.000000\n0.000000 8.731849 0.000000\n0.000000 0.000000 10.022037\nCs\n4\ndirect\n0.732089 0.750000 0.391224 Cs\n0.267911 0.250000 0.608776 Cs\n0.732089 0.250000 0.108776 Cs\n0.267911 0.750000 0.891224 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8839893745320324,
"density_atomic": 0.008536631902981455,
"volume": 468.5688741719065,
"volume_molar": 70.54469290044874,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.39635312,
"energy_per_atom": -0.84908828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39635312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.978000Z",
"spacegroup": 57
}
]
}