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=34",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=32",
"results": [
{
"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-972364",
"created_at": "2022-09-04T14:40:43.046609Z",
"structure_string": "Yb3\n1.0\n9.508741 -1.939487 0.000000\n9.508741 1.939487 0.000000\n9.113146 0.000000 3.335916\nYb\n3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.222416 0.222416 0.222416 Yb\n0.777584 0.777584 0.777584 Yb\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.005866629959364,
"density_atomic": 0.024381827904520453,
"volume": 123.04245652737924,
"volume_molar": 24.69929975546862,
"formula_full": "Yb3",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -4.61882484,
"energy_per_atom": -1.5396082800000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61882484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.708000Z",
"spacegroup": 166
},
{
"id": "mp-723638",
"created_at": "2022-09-04T14:48:28.970487Z",
"structure_string": "C48\n1.0\n4.718441 0.000000 0.000000\n0.000000 10.108005 0.000000\n0.000000 4.348503 15.089665\nC\n48\ndirect\n0.920326 0.336823 0.624265 C\n0.420326 0.163177 0.875735 C\n0.079674 0.663177 0.375735 C\n0.579674 0.836823 0.124265 C\n0.970540 0.210178 0.609125 C\n0.470540 0.289822 0.890875 C\n0.029460 0.789822 0.390875 C\n0.529460 0.710178 0.109125 C\n0.862065 0.162886 0.551675 C\n0.362065 0.337114 0.948325 C\n0.137935 0.837114 0.448325 C\n0.637935 0.662886 0.051675 C\n0.665514 0.225251 0.487583 C\n0.165514 0.274749 0.012417 C\n0.334486 0.774749 0.512417 C\n0.834486 0.725251 0.987583 C\n0.527665 0.190273 0.418906 C\n0.027665 0.309727 0.081094 C\n0.472335 0.809727 0.581094 C\n0.972335 0.690273 0.918906 C\n0.351968 0.259475 0.366204 C\n0.851968 0.240525 0.133796 C\n0.648032 0.740525 0.633796 C\n0.148032 0.759475 0.866204 C\n0.247491 0.389064 0.362597 C\n0.747491 0.110936 0.137403 C\n0.752509 0.610936 0.637404 C\n0.252509 0.889064 0.862596 C\n0.052799 0.478833 0.310929 C\n0.552799 0.021167 0.189071 C\n0.947201 0.521167 0.689071 C\n0.447201 0.978833 0.810929 C\n0.980272 0.594323 0.316660 C\n0.480272 0.905677 0.183340 C\n0.019728 0.405677 0.683340 C\n0.519728 0.094323 0.816660 C\n0.705824 0.419674 0.561272 C\n0.205824 0.080326 0.938728 C\n0.294176 0.580326 0.438728 C\n0.794176 0.919674 0.061272 C\n0.581669 0.365049 0.493798 C\n0.081669 0.134951 0.006202 C\n0.418331 0.634951 0.506202 C\n0.918331 0.865049 0.993798 C\n0.376228 0.445499 0.432417 C\n0.876228 0.054501 0.067583 C\n0.623772 0.554501 0.567583 C\n0.123772 0.945499 0.932417 C\n",
"nsites": 48,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.3301942891337446,
"density_atomic": 0.0666956734418464,
"volume": 719.6868630744448,
"volume_molar": 9.029282484494068,
"formula_full": "C48",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -392.99043979,
"energy_per_atom": -8.187300828958334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -392.99043979,
"band_gap": 1.802,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002899,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:20.505000Z",
"spacegroup": 14
},
{
"id": "mp-723285",
"created_at": "2022-09-04T14:47:57.169127Z",
"structure_string": "O8\n1.0\n4.262510 0.000000 0.000000\n0.000000 4.262510 0.000000\n0.000000 0.000000 8.980318\nO\n8\ndirect\n0.547471 0.363461 0.529930 O\n0.452529 0.636539 0.029930 O\n0.863461 0.952529 0.279930 O\n0.136539 0.047471 0.779930 O\n0.636539 0.452529 0.970070 O\n0.363461 0.547471 0.470070 O\n0.952529 0.863461 0.720070 O\n0.047471 0.136539 0.220070 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.3026275029235828,
"density_atomic": 0.049030627293298844,
"volume": 163.16332141019504,
"volume_molar": 12.282406105016452,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.57350969,
"energy_per_atom": -4.94668871125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.57350969,
"band_gap": 1.4592,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0010318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.023000Z",
"spacegroup": 92
},
{
"id": "mp-610917",
"created_at": "2022-09-04T14:47:46.278138Z",
"structure_string": "O2\n1.0\n3.858081 -1.673188 0.000000\n3.858081 1.673188 0.000000\n3.132446 0.000000 2.805732\nO\n2\ndirect\n0.944954 0.944954 0.944954 O\n0.055046 0.055046 0.055046 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.4668662819670022,
"density_atomic": 0.055212540652498636,
"volume": 36.22365456043346,
"volume_molar": 10.90719733022731,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.87170491,
"energy_per_atom": -4.935852455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.87170491,
"band_gap": 1.2858,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994235,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.068000Z",
"spacegroup": 166
},
{
"id": "mp-1056957",
"created_at": "2022-09-04T14:47:19.270820Z",
"structure_string": "C2\n1.0\n1.130225 -1.148383 0.000000\n1.130225 1.148383 0.000000\n0.000000 0.000000 6.399035\nC\n2\ndirect\n0.668158 0.331842 0.750000 C\n0.331842 0.668158 0.250000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.401326795551059,
"density_atomic": 0.120402041334524,
"volume": 16.61101404786998,
"volume_molar": 5.001693238130519,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -13.22094255,
"energy_per_atom": -6.610471275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.22094255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.692000Z",
"spacegroup": 63
},
{
"id": "mp-1178932",
"created_at": "2022-09-04T14:47:08.133102Z",
"structure_string": "Te1\n1.0\n2.157882 -2.358491 0.000000\n2.157882 2.358491 0.000000\n-0.419868 0.000000 3.169014\nTe\n1\ndirect\n0.000000 0.000000 0.000000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.568764661121117,
"density_atomic": 0.031001587321516835,
"volume": 32.256412861348686,
"volume_molar": 19.425265866371614,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.08921044,
"energy_per_atom": -3.08921044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.08921044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.979000Z",
"spacegroup": 166
},
{
"id": "mp-542461",
"created_at": "2022-09-04T14:46:24.911227Z",
"structure_string": "Se32\n1.0\n10.273104 0.000000 0.000000\n0.000000 9.450373 0.000000\n0.000000 9.271796 12.340093\nSe\n32\ndirect\n0.495249 0.925311 0.757421 Se\n0.995249 0.074689 0.742579 Se\n0.504751 0.074689 0.242579 Se\n0.004751 0.925311 0.257421 Se\n0.654241 0.939240 0.641743 Se\n0.154241 0.060760 0.858257 Se\n0.345759 0.060760 0.358257 Se\n0.845759 0.939240 0.141743 Se\n0.639174 0.214122 0.468504 Se\n0.139174 0.785878 0.031496 Se\n0.360826 0.785878 0.531496 Se\n0.860826 0.214122 0.968504 Se\n0.799060 0.408665 0.453769 Se\n0.299060 0.591335 0.046231 Se\n0.200940 0.591335 0.546231 Se\n0.700940 0.408665 0.953769 Se\n0.692335 0.594187 0.486368 Se\n0.192335 0.405813 0.013632 Se\n0.307665 0.405813 0.513632 Se\n0.807665 0.594187 0.986368 Se\n0.723040 0.480938 0.668976 Se\n0.223040 0.519062 0.831024 Se\n0.276960 0.519062 0.331024 Se\n0.776960 0.480938 0.168976 Se\n0.538051 0.310251 0.769702 Se\n0.038051 0.689749 0.730298 Se\n0.461949 0.689749 0.230298 Se\n0.961949 0.310251 0.269702 Se\n0.594162 0.010970 0.857412 Se\n0.094162 0.989030 0.642588 Se\n0.405838 0.989030 0.142588 Se\n0.905838 0.010970 0.357412 Se\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 3.5021693898110904,
"density_atomic": 0.02671043191247992,
"volume": 1198.0337908743675,
"volume_molar": 22.546025387130765,
"formula_full": "Se32",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -111.66501356,
"energy_per_atom": -3.48953167375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.66501356,
"band_gap": 1.5703,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018165,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.242000Z",
"spacegroup": 14
},
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"id": "mp-12628",
"created_at": "2022-09-04T14:45:54.824065Z",
"structure_string": "Rb1\n1.0\n0.000000 3.568601 3.568601\n3.568601 0.000000 3.568601\n3.568601 3.568601 0.000000\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5614484407092162,
"density_atomic": 0.011002111090589649,
"volume": 90.89164722716919,
"volume_molar": 54.73622935102765,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96519287,
"energy_per_atom": -0.96519287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96519287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.586000Z",
"spacegroup": 225
},
{
"id": "mp-1183069",
"created_at": "2022-09-04T14:45:32.661699Z",
"structure_string": "Ac3\n1.0\n9.731660 -2.006425 0.000000\n9.731660 2.006425 0.000000\n9.317985 0.000000 3.450521\nAc\n3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.777399 0.777399 0.777399 Ac\n0.222601 0.222601 0.222601 Ac\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.392119917536471,
"density_atomic": 0.02226366847386311,
"volume": 134.74868274839395,
"volume_molar": 27.049184491180398,
"formula_full": "Ac3",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -12.228251020000002,
"energy_per_atom": -4.076083673333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.228251020000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.266000Z",
"spacegroup": 166
},
{
"id": "mp-8642",
"created_at": "2022-09-04T14:45:19.151549Z",
"structure_string": "Re1\n1.0\n0.000000 1.962476 1.962476\n1.962476 0.000000 1.962476\n1.962476 1.962476 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.455120497629814,
"density_atomic": 0.0661541268277012,
"volume": 15.116214935532374,
"volume_molar": 9.103197410019028,
"formula_full": "Re1",
"formula_reduced": "Re",
"formula_anonymous": "A",
"energy": -12.38177043,
"energy_per_atom": -12.38177043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38177043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.959000Z",
"spacegroup": 225
}
]
}