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=43",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=41",
"results": [
{
"id": "mp-110",
"created_at": "2022-09-04T14:40:57.406985Z",
"structure_string": "Mg1\n1.0\n-1.789645 1.789645 1.789645\n1.789645 -1.789645 1.789645\n1.789645 1.789645 -1.789645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7602893333027019,
"density_atomic": 0.043615347241879474,
"volume": 22.92770924083804,
"volume_molar": 13.807389235267943,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57447816,
"energy_per_atom": -1.57447816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57447816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.815000Z",
"spacegroup": 229
},
{
"id": "mp-639747",
"created_at": "2022-09-04T14:40:57.181822Z",
"structure_string": "Ba1\n1.0\n3.953643 0.000000 0.000000\n0.000000 3.953643 0.000000\n0.000000 0.000000 3.953643\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6898836803357216,
"density_atomic": 0.016181085233557612,
"volume": 61.800552037518536,
"volume_molar": 37.21716234156414,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.6229062,
"energy_per_atom": -1.6229062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.6229062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.748000Z",
"spacegroup": 221
},
{
"id": "mp-1078637",
"created_at": "2022-09-04T14:40:36.292148Z",
"structure_string": "Bi8\n1.0\n3.404055 -5.540062 0.000000\n3.404056 5.540062 0.000000\n0.000000 0.000000 6.903931\nBi\n8\ndirect\n0.703996 0.296004 0.500000 Bi\n0.203996 0.796004 0.000000 Bi\n0.296004 0.703996 0.500000 Bi\n0.796004 0.203996 0.000000 Bi\n0.333113 0.333113 0.833033 Bi\n0.666887 0.666887 0.166967 Bi\n0.166887 0.166887 0.333033 Bi\n0.833113 0.833113 0.666967 Bi\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 10.661220982421648,
"density_atomic": 0.03072219856589229,
"volume": 260.3980305264214,
"volume_molar": 19.60191991821108,
"formula_full": "Bi8",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -30.31347586,
"energy_per_atom": -3.7891844825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.31347586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014944,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.239000Z",
"spacegroup": 64
},
{
"id": "mp-1216274",
"created_at": "2022-09-04T14:40:30.967985Z",
"structure_string": "W4\n1.0\n2.669141 0.000000 0.000000\n0.000000 2.669141 0.000000\n1.334570 1.334570 9.663752\nW\n4\ndirect\n0.435305 0.685305 0.129390 W\n0.185305 0.935305 0.629390 W\n0.564695 0.314695 0.870610 W\n0.814695 0.064695 0.370610 W\n",
"nsites": 4,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 17.736188308705483,
"density_atomic": 0.05809933778165902,
"volume": 68.84760055324989,
"volume_molar": 10.365248537998118,
"formula_full": "W4",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -48.6160018,
"energy_per_atom": -12.15400045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.6160018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.366000Z",
"spacegroup": 141
},
{
"id": "mp-113",
"created_at": "2022-09-04T14:40:26.996512Z",
"structure_string": "Tc2\n1.0\n1.380358 -2.390851 0.000000\n1.380358 2.390851 0.000000\n0.000000 0.000000 4.421340\nTc\n2\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.750000 Tc\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.152622748727236,
"density_atomic": 0.06853333067267706,
"volume": 29.182880510393204,
"volume_molar": 8.787170710792426,
"formula_full": "Tc2",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy": -20.72123982,
"energy_per_atom": -10.36061991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.72123982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.179000Z",
"spacegroup": 194
},
{
"id": "mp-8641",
"created_at": "2022-09-04T14:40:27.509041Z",
"structure_string": "W1\n1.0\n0.000000 2.021631 2.021631\n2.021631 0.000000 2.021631\n2.021631 2.021631 0.000000\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.473681323464337,
"density_atomic": 0.06051518131186431,
"volume": 16.524779044228772,
"volume_molar": 9.951454543224393,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -12.48670239,
"energy_per_atom": -12.48670239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.48670239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.423000Z",
"spacegroup": 225
},
{
"id": "mp-1186055",
"created_at": "2022-09-04T14:40:13.316662Z",
"structure_string": "Na20\n1.0\n9.102791 0.000000 0.000000\n0.000000 9.102791 0.000000\n0.000000 0.000000 9.102791\nNa\n20\ndirect\n0.875000 0.702081 0.047919 Na\n0.063494 0.063494 0.063494 Na\n0.202081 0.452081 0.125000 Na\n0.813494 0.313494 0.186506 Na\n0.452081 0.125000 0.202081 Na\n0.547919 0.625000 0.297919 Na\n0.186506 0.813494 0.313494 Na\n0.797919 0.952081 0.375000 Na\n0.936506 0.563494 0.436506 Na\n0.125000 0.202081 0.452081 Na\n0.625000 0.297919 0.547919 Na\n0.436506 0.936506 0.563494 Na\n0.297919 0.547919 0.625000 Na\n0.686506 0.686506 0.686506 Na\n0.047919 0.875000 0.702081 Na\n0.952081 0.375000 0.797919 Na\n0.313494 0.186506 0.813494 Na\n0.702081 0.047919 0.875000 Na\n0.563494 0.436506 0.936506 Na\n0.375000 0.797919 0.952081 Na\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.012255142103122,
"density_atomic": 0.026515894433915044,
"volume": 754.2645808100323,
"volume_molar": 22.71143737960205,
"formula_full": "Na20",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -25.95393732,
"energy_per_atom": -1.2976968660000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.95393732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4023172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.060000Z",
"spacegroup": 213
},
{
"id": "mp-1078638",
"created_at": "2022-09-04T14:40:12.858396Z",
"structure_string": "Ca8\n1.0\n4.561378 0.000000 0.000000\n0.000000 4.561378 0.000000\n0.000000 0.000000 16.031352\nCa\n8\ndirect\n0.007130 0.483393 0.687587 Ca\n0.992870 0.516607 0.187587 Ca\n0.983393 0.492870 0.437587 Ca\n0.016607 0.507130 0.937587 Ca\n0.516607 0.992870 0.812413 Ca\n0.483393 0.007130 0.312413 Ca\n0.492870 0.983393 0.562413 Ca\n0.507130 0.016607 0.062413 Ca\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5961836142621397,
"density_atomic": 0.02398433656173962,
"volume": 333.55102316074857,
"volume_molar": 25.1086401514506,
"formula_full": "Ca8",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -15.89158303,
"energy_per_atom": -1.98644787875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.89158303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0661757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.890000Z",
"spacegroup": 92
},
{
"id": "mp-1096840",
"created_at": "2022-09-04T14:40:04.554466Z",
"structure_string": "Ba2\n1.0\n2.454345 -3.632532 0.000000\n2.454345 3.632532 0.000000\n0.000000 0.000000 7.278134\nBa\n2\ndirect\n0.255870 0.255870 0.250000 Ba\n0.744130 0.744130 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.514308831818658,
"density_atomic": 0.015411144543051867,
"volume": 129.77621450586565,
"volume_molar": 39.07653155271384,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -3.83779937,
"energy_per_atom": -1.918899685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.83779937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.030000Z",
"spacegroup": 63
},
{
"id": "mp-1179641",
"created_at": "2022-09-04T14:40:20.237904Z",
"structure_string": "S4\n1.0\n5.891077 -1.185119 -0.003537\n-1.264447 5.901926 -0.003490\n-0.000217 0.004001 3.772683\nS\n4\ndirect\n0.332491 0.975856 0.749642 S\n0.667191 0.023684 0.749772 S\n0.021010 0.666242 0.250100 S\n0.979309 0.334218 0.250485 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6968151577302757,
"density_atomic": 0.03186795486382225,
"volume": 125.51793854022799,
"volume_molar": 18.897167344857046,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.1680996,
"energy_per_atom": -3.7920249,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.1680996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.551000Z",
"spacegroup": 66
},
{
"id": "mp-23152",
"created_at": "2022-09-04T14:39:37.824738Z",
"structure_string": "Bi2\n1.0\n4.207773 -2.304793 0.000000\n4.207773 2.304793 0.000000\n2.945330 0.000000 3.787143\nBi\n2\ndirect\n0.732784 0.732784 0.732784 Bi\n0.267216 0.267216 0.267216 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.44840978387041,
"density_atomic": 0.02722726805781408,
"volume": 73.45577219694691,
"volume_molar": 22.118049990225437,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -7.78006862,
"energy_per_atom": -3.89003431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.78006862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.757000Z",
"spacegroup": 166
},
{
"id": "mp-1245152",
"created_at": "2022-09-04T14:39:44.402159Z",
"structure_string": "Al100\n1.0\n12.271583 -0.270045 -0.260587\n-0.260058 12.094109 -0.644981\n-0.253048 -0.661060 11.882502\nAl\n100\ndirect\n0.100790 0.757599 0.283118 Al\n0.365682 0.118487 0.313854 Al\n0.605608 0.532973 0.617310 Al\n0.517286 0.938473 0.903441 Al\n0.797080 0.236834 0.984503 Al\n0.743126 0.851245 0.030550 Al\n0.944013 0.300748 0.377924 Al\n0.487567 0.126633 0.718097 Al\n0.015966 0.499685 0.272669 Al\n0.071995 0.088031 0.983031 Al\n0.201834 0.261276 0.908226 Al\n0.712173 0.549718 0.158679 Al\n0.718209 0.643727 0.862664 Al\n0.309102 0.294013 0.460353 Al\n0.134729 0.076537 0.760537 Al\n0.562313 0.665337 0.026281 Al\n0.150654 0.437885 0.428310 Al\n0.200812 0.379109 0.690213 Al\n0.730540 0.993934 0.263585 Al\n0.989322 0.250982 0.137997 Al\n0.461496 0.710943 0.574266 Al\n0.623443 0.314616 0.714555 Al\n0.199076 0.914392 0.898652 Al\n0.354326 0.350658 0.254956 Al\n0.100358 0.240313 0.526485 Al\n0.710505 0.435661 0.946747 Al\n0.884859 0.041692 0.096273 Al\n0.169727 0.037835 0.426370 Al\n0.974486 0.078864 0.585884 Al\n0.323443 0.552838 0.816156 Al\n0.405383 0.528995 0.417856 Al\n0.407485 0.731330 0.190467 Al\n0.791257 0.142864 0.460899 Al\n0.273699 0.747951 0.734605 Al\n0.373756 0.764854 0.955686 Al\n0.681022 0.762427 0.219667 Al\n0.250883 0.178314 0.108796 Al\n0.567560 0.249109 0.932122 Al\n0.868501 0.669178 0.051229 Al\n0.786713 0.213697 0.221173 Al\n0.179486 0.884197 0.583299 Al\n0.402400 0.363531 0.035800 Al\n0.781772 0.974314 0.626490 Al\n0.073906 0.601726 0.089123 Al\n0.555424 0.912916 0.669609 Al\n0.998635 0.863411 0.002465 Al\n0.241732 0.568257 0.264438 Al\n0.567256 0.386762 0.407273 Al\n0.870035 0.658312 0.325640 Al\n0.971391 0.374422 0.664180 Al\n0.992353 0.901033 0.710624 Al\n0.497438 0.206816 0.518965 Al\n0.098923 0.670119 0.481196 Al\n0.620197 0.342069 0.156720 Al\n0.689053 0.740423 0.607574 Al\n0.519204 0.718649 0.794577 Al\n0.900682 0.438964 0.077135 Al\n0.423909 0.416967 0.624137 Al\n0.297728 0.902761 0.291513 Al\n0.386004 0.968448 0.508154 Al\n0.118599 0.996279 0.186034 Al\n0.474168 0.161371 0.120848 Al\n0.128111 0.693979 0.893049 Al\n0.886303 0.047056 0.855694 Al\n0.305058 0.566572 0.042959 Al\n0.677283 0.087015 0.809260 Al\n0.520975 0.821007 0.381832 Al\n0.339776 0.972594 0.084482 Al\n0.300590 0.741595 0.426418 Al\n0.344052 0.956331 0.733107 Al\n0.820380 0.212276 0.699981 Al\n0.909564 0.503697 0.865656 Al\n0.817429 0.551530 0.672567 Al\n0.730503 0.864735 0.811103 Al\n0.907054 0.854605 0.218976 Al\n0.540615 0.911312 0.141829 Al\n0.608608 0.015106 0.478625 Al\n0.917559 0.728716 0.816800 Al\n0.268532 0.568874 0.588061 Al\n0.125909 0.465256 0.896159 Al\n0.145376 0.222697 0.300384 Al\n0.204132 0.790775 0.096247 Al\n0.385699 0.310606 0.807146 Al\n0.064154 0.588561 0.690254 Al\n0.935110 0.507950 0.488713 Al\n0.765704 0.841550 0.425735 Al\n0.903616 0.723863 0.572945 Al\n0.363459 0.111867 0.911780 Al\n0.631261 0.622173 0.393632 Al\n0.491392 0.528266 0.201682 Al\n0.991026 0.880310 0.449245 Al\n0.983097 0.272511 0.870581 Al\n0.757741 0.356920 0.539318 Al\n0.592891 0.170311 0.317999 Al\n0.664686 0.069426 0.044268 Al\n0.775464 0.435253 0.327305 Al\n0.531420 0.493857 0.838653 Al\n0.955577 0.069459 0.333110 Al\n0.285200 0.154535 0.628745 Al\n0.168304 0.391094 0.113497 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.5506397933873206,
"density_atomic": 0.056928969458932034,
"volume": 1756.57492047417,
"volume_molar": 10.578341426581257,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -364.34942792,
"energy_per_atom": -3.6434942792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -364.34942792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.947000Z",
"spacegroup": 1
}
]
}