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=35",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=33",
"results": [
{
"id": "mp-568087",
"created_at": "2022-09-04T14:43:55.399579Z",
"structure_string": "Bi4\n1.0\n-4.449748 4.449748 2.065632\n4.449748 -4.449748 2.065632\n4.449748 4.449748 -2.065632\nBi\n4\ndirect\n0.354344 0.854344 0.208689 Bi\n0.645656 0.145656 0.791311 Bi\n0.854344 0.645656 0.500000 Bi\n0.145656 0.354344 0.500000 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 8.484590133194276,
"density_atomic": 0.024449850842787436,
"volume": 163.60018004690514,
"volume_molar": 24.630582815095156,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -14.68937008,
"energy_per_atom": -3.67234252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.68937008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.03e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.798000Z",
"spacegroup": 140
},
{
"id": "mp-616440",
"created_at": "2022-09-04T14:43:59.798818Z",
"structure_string": "C16\n1.0\n1.261626 -2.185200 0.000000\n1.261626 2.185200 0.000000\n0.000000 0.000000 16.559912\nC\n16\ndirect\n0.000000 0.000000 0.953187 C\n0.666667 0.333333 0.297321 C\n0.333333 0.666667 0.797321 C\n0.666667 0.333333 0.202679 C\n0.333333 0.666667 0.077931 C\n0.333333 0.666667 0.328685 C\n0.333333 0.666667 0.422069 C\n0.666667 0.333333 0.671315 C\n0.333333 0.666667 0.702679 C\n0.000000 0.000000 0.453187 C\n0.000000 0.000000 0.046813 C\n0.333333 0.666667 0.171315 C\n0.666667 0.333333 0.828685 C\n0.000000 0.000000 0.546813 C\n0.666667 0.333333 0.577931 C\n0.666667 0.333333 0.922069 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4948420856278513,
"density_atomic": 0.17523067748670842,
"volume": 91.30821286252021,
"volume_molar": 3.43669319001337,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -145.36998162,
"energy_per_atom": -9.08562385125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.36998162,
"band_gap": 4.3668,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.412000Z",
"spacegroup": 194
},
{
"id": "mp-131",
"created_at": "2022-09-04T14:44:05.213818Z",
"structure_string": "Zr2\n1.0\n1.619616 -2.805257 0.000000\n1.619616 2.805257 0.000000\n0.000000 0.000000 5.172220\nZr\n2\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.44609209980321,
"density_atomic": 0.04255379504335922,
"volume": 46.999333384064705,
"volume_molar": 14.151830063250241,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -17.09540126,
"energy_per_atom": -8.54770063,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.09540126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.756000Z",
"spacegroup": 194
},
{
"id": "mp-68",
"created_at": "2022-09-04T14:44:19.628212Z",
"structure_string": "Sm2\n1.0\n1.840855 -3.188455 0.000000\n1.840855 3.188455 0.000000\n0.000000 0.000000 5.850009\nSm\n2\ndirect\n0.333333 0.666667 0.250000 Sm\n0.666667 0.333333 0.750000 Sm\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.271516716204516,
"density_atomic": 0.029123501741692925,
"volume": 68.67306060029242,
"volume_molar": 20.67794186774855,
"formula_full": "Sm2",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"energy": -9.39304241,
"energy_per_atom": -4.696521205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.39304241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.012000Z",
"spacegroup": 194
},
{
"id": "mp-1189505",
"created_at": "2022-09-04T14:44:27.822195Z",
"structure_string": "N16\n1.0\n0.000000 0.000000 -4.239789\n0.000000 -9.460163 0.000000\n-9.709648 0.000000 0.000000\nN\n16\ndirect\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.377713 N\n0.000000 0.000000 0.122287 N\n0.000000 0.500000 0.622287 N\n0.000000 0.000000 0.877713 N\n0.888135 0.614897 0.000000 N\n0.111865 0.385103 0.000000 N\n0.888135 0.885103 0.500000 N\n0.111865 0.114897 0.500000 N\n0.466871 0.750000 0.250000 N\n0.533129 0.250000 0.250000 N\n0.533129 0.250000 0.750000 N\n0.466871 0.750000 0.750000 N\n",
"nsites": 16,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 0.955561311721699,
"density_atomic": 0.04108408637285692,
"volume": 389.4451942971949,
"volume_molar": 14.658086114770356,
"formula_full": "N16",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -98.54534138,
"energy_per_atom": -6.15908383625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.54534138,
"band_gap": 0.2718000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0003203,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.452000Z",
"spacegroup": 53
},
{
"id": "mp-973986",
"created_at": "2022-09-04T14:44:55.030549Z",
"structure_string": "Ho4\n1.0\n1.770124 -3.065945 0.000000\n1.770124 3.065945 0.000000\n0.000000 0.000000 11.426988\nHo\n4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Ho\n0.000000 0.000000 0.500000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.832421234737389,
"density_atomic": 0.032250033799475386,
"volume": 124.03087776190388,
"volume_molar": 18.673285111713472,
"formula_full": "Ho4",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -18.30788468,
"energy_per_atom": -4.57697117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30788468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.283000Z",
"spacegroup": 194
},
{
"id": "mp-1080694",
"created_at": "2022-09-04T14:45:00.054671Z",
"structure_string": "Os8\n1.0\n5.158646 0.000000 0.000000\n0.000000 4.669927 0.000000\n-1.420754 0.000000 4.946648\nOs\n8\ndirect\n0.391948 0.340406 0.791698 Os\n0.608052 0.840406 0.708302 Os\n0.608052 0.659594 0.208302 Os\n0.391948 0.159594 0.291698 Os\n0.861196 0.344294 0.640014 Os\n0.138804 0.844294 0.859986 Os\n0.138804 0.655706 0.359986 Os\n0.861196 0.155706 0.140014 Os\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 21.206122545991196,
"density_atomic": 0.06713255269405514,
"volume": 119.1672248254673,
"volume_molar": 8.970522523469132,
"formula_full": "Os8",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -87.9748755,
"energy_per_atom": -10.9968594375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.9748755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.995000Z",
"spacegroup": 14
},
{
"id": "mp-975590",
"created_at": "2022-09-04T14:45:07.682193Z",
"structure_string": "Kr3\n1.0\n11.179084 -2.260239 0.000000\n11.179084 2.260239 0.000000\n10.722099 0.000000 3.888086\nKr\n3\ndirect\n0.000000 0.000000 0.000000 Kr\n0.777799 0.777799 0.777799 Kr\n0.222201 0.222201 0.222201 Kr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.1246018913575826,
"density_atomic": 0.01526844513370146,
"volume": 196.48366115408922,
"volume_molar": 39.44174215033565,
"formula_full": "Kr3",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.16860712,
"energy_per_atom": -0.05620237333333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.16860712,
"band_gap": 7.0685,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.846000Z",
"spacegroup": 166
},
{
"id": "mp-1096826",
"created_at": "2022-09-04T14:45:18.336401Z",
"structure_string": "As1\n1.0\n0.000000 2.133318 2.133318\n2.133318 0.000000 2.133318\n2.133318 2.133318 0.000000\nAs\n1\ndirect\n0.500000 0.500000 0.500000 As\n",
"nsites": 1,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 6.407068275258615,
"density_atomic": 0.051499523536432355,
"volume": 19.417655374861265,
"volume_molar": 11.693585389658512,
"formula_full": "As1",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -4.10052398,
"energy_per_atom": -4.10052398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.10052398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.996000Z",
"spacegroup": 225
},
{
"id": "mp-731594",
"created_at": "2022-09-04T14:45:24.759475Z",
"structure_string": "C28\n1.0\n6.073984 0.000000 0.000000\n0.000000 8.523852 0.000000\n0.000000 1.354005 9.365351\nC\n28\ndirect\n0.400142 0.839098 0.682930 C\n0.900142 0.160902 0.317070 C\n0.573292 0.923263 0.655372 C\n0.073292 0.076737 0.344628 C\n0.732393 0.958008 0.740636 C\n0.232393 0.041992 0.259364 C\n0.723456 0.904587 0.873213 C\n0.223456 0.095413 0.126787 C\n0.697664 0.766715 0.189363 C\n0.197664 0.233285 0.810637 C\n0.679220 0.707410 0.320179 C\n0.179220 0.292590 0.679821 C\n0.507011 0.619938 0.365579 C\n0.007011 0.380062 0.634421 C\n0.340965 0.581711 0.294783 C\n0.840965 0.418289 0.705217 C\n0.204185 0.629434 0.034471 C\n0.704185 0.370566 0.965529 C\n0.217740 0.682186 0.905910 C\n0.717740 0.317814 0.094090 C\n0.374926 0.775452 0.827135 C\n0.874926 0.224548 0.172865 C\n0.554413 0.809338 0.936676 C\n0.054413 0.190662 0.063324 C\n0.540874 0.745332 0.086499 C\n0.040874 0.254668 0.913501 C\n0.343218 0.641030 0.148852 C\n0.843218 0.358970 0.851148 C\n",
"nsites": 28,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.1517065730554996,
"density_atomic": 0.05774633534726772,
"volume": 484.87925392351025,
"volume_molar": 10.428611138325573,
"formula_full": "C28",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -216.37028933,
"energy_per_atom": -7.727510333214285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.37028933,
"band_gap": 1.6096,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002781,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.223000Z",
"spacegroup": 4
},
{
"id": "mp-1178952",
"created_at": "2022-09-04T14:45:24.865588Z",
"structure_string": "Te4\n1.0\n3.130769 0.000000 0.000000\n0.000000 4.742908 0.000000\n0.000000 0.000000 8.985613\nTe\n4\ndirect\n0.500000 0.545271 0.760814 Te\n0.500000 0.454729 0.260814 Te\n0.500000 0.987468 0.009186 Te\n0.500000 0.012532 0.509186 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.352085390179579,
"density_atomic": 0.02997895952384046,
"volume": 133.42691219216735,
"volume_molar": 20.087891159834797,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.37668086,
"energy_per_atom": -3.094170215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.37668086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.527000Z",
"spacegroup": 26
},
{
"id": "mp-10207",
"created_at": "2022-09-04T14:45:31.292762Z",
"structure_string": "Np1\n1.0\n-1.643450 1.643450 1.643450\n1.643450 -1.643450 1.643450\n1.643450 1.643450 -1.643450\nNp\n1\ndirect\n0.000000 0.000000 0.000000 Np\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Np"
],
"chemical_system": "Np",
"density": 22.165011704054592,
"density_atomic": 0.056321021297465114,
"volume": 17.755359845454503,
"volume_molar": 10.692527623377886,
"formula_full": "Np1",
"formula_reduced": "Np",
"formula_anonymous": "A",
"energy": -12.50028536,
"energy_per_atom": -12.50028536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.50028536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4894022,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.081000Z",
"spacegroup": 229
}
]
}