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-1067285",
"created_at": "2022-09-04T14:39:43.459305Z",
"structure_string": "Ca4\n1.0\n3.468139 -3.594496 0.000000\n3.468139 3.594496 0.000000\n0.000000 0.000000 6.989240\nCa\n4\ndirect\n0.160718 0.839282 0.196981 Ca\n0.839282 0.160718 0.803019 Ca\n0.339282 0.660718 0.696981 Ca\n0.660718 0.339282 0.303019 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.527638800043777,
"density_atomic": 0.022954378680274275,
"volume": 174.25869180407742,
"volume_molar": 26.235259267440313,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -6.91507784,
"energy_per_atom": -1.72876946,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.91507784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.625000Z",
"spacegroup": 64
},
{
"id": "mp-1007857",
"created_at": "2022-09-04T14:39:23.375450Z",
"structure_string": "Ga4\n1.0\n2.058439 -2.331066 0.000000\n2.058439 2.331066 0.000000\n0.000000 0.000000 7.921188\nGa\n4\ndirect\n0.218668 0.781332 0.126871 Ga\n0.781332 0.218668 0.873129 Ga\n0.281332 0.718668 0.626871 Ga\n0.718668 0.281332 0.373129 Ga\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.092173540777604,
"density_atomic": 0.05261954679171708,
"volume": 76.0173784056545,
"volume_molar": 11.444683824125894,
"formula_full": "Ga4",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -12.05081059,
"energy_per_atom": -3.0127026475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.05081059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.125000Z",
"spacegroup": 64
},
{
"id": "mp-39",
"created_at": "2022-09-04T14:39:18.201038Z",
"structure_string": "Tl1\n1.0\n-1.981770 1.981770 1.981770\n1.981770 -1.981770 1.981770\n1.981770 1.981770 -1.981770\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.90121145338983,
"density_atomic": 0.03212034928955766,
"volume": 31.132911755884933,
"volume_molar": 18.748677686259782,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -2.36165298,
"energy_per_atom": -2.36165298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.36165298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.186000Z",
"spacegroup": 229
},
{
"id": "mp-567365",
"created_at": "2022-09-04T14:48:31.165602Z",
"structure_string": "Kr2\n1.0\n2.210190 -3.828161 0.000000\n2.210190 3.828161 0.000000\n0.000000 0.000000 7.360347\nKr\n2\ndirect\n0.333333 0.666667 0.250000 Kr\n0.666667 0.333333 0.750000 Kr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.234419214800725,
"density_atomic": 0.016057646999962698,
"volume": 124.55124963231825,
"volume_molar": 37.50325785598594,
"formula_full": "Kr2",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.10963756,
"energy_per_atom": -0.05481878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.10963756,
"band_gap": 7.1771,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:56.958000Z",
"spacegroup": 194
},
{
"id": "mp-1981700",
"created_at": "2022-09-04T14:48:23.743240Z",
"structure_string": "U8\n1.0\n0.000000 0.000000 -5.043143\n0.000000 -5.821972 0.000000\n-5.694018 2.910986 0.000000\nU\n8\ndirect\n0.000000 0.217589 0.000000 U\n0.000000 0.782411 0.000000 U\n0.500000 0.403367 0.247496 U\n0.500000 0.155872 0.752504 U\n0.500000 0.596633 0.752504 U\n0.500000 0.844128 0.247496 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n",
"nsites": 8,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.91378993596806,
"density_atomic": 0.04785196274638782,
"volume": 167.18227510122128,
"volume_molar": 12.584939915457474,
"formula_full": "U8",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -87.45485768,
"energy_per_atom": -10.93185721,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.45485768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:32.350000Z",
"spacegroup": 65
},
{
"id": "mp-1008283",
"created_at": "2022-09-04T14:48:16.076003Z",
"structure_string": "Ba2\n1.0\n3.698491 -6.405974 0.000000\n3.698491 6.405974 0.000000\n0.000000 0.000000 4.071332\nBa\n2\ndirect\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.500000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 2.364061517729881,
"density_atomic": 0.01036701539390541,
"volume": 192.91955534046622,
"volume_molar": 58.08943588084487,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -2.38228657,
"energy_per_atom": -1.191143285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.38228657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5713263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:52.180000Z",
"spacegroup": 191
},
{
"id": "mp-1179618",
"created_at": "2022-09-04T14:47:45.292258Z",
"structure_string": "Sb14\n1.0\n-6.714481 0.000000 0.000000\n-0.112697 -8.757291 0.000000\n2.881934 2.609563 8.226393\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.380423 0.244926 0.126411 Sb\n0.619577 0.755074 0.873589 Sb\n0.902526 0.205171 0.763959 Sb\n0.097474 0.794829 0.236041 Sb\n0.030873 0.622615 0.880871 Sb\n0.969127 0.377385 0.119129 Sb\n0.576532 0.338515 0.474819 Sb\n0.423468 0.661485 0.525181 Sb\n0.267738 0.268256 0.664145 Sb\n0.732262 0.731744 0.335855 Sb\n",
"nsites": 14,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 5.8518082754725596,
"density_atomic": 0.02894252065342226,
"volume": 483.71737097973164,
"volume_molar": 20.807243543550598,
"formula_full": "Sb14",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -54.52207075,
"energy_per_atom": -3.894433625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.52207075,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.938000Z",
"spacegroup": 2
},
{
"id": "mp-1184554",
"created_at": "2022-09-04T14:48:29.905178Z",
"structure_string": "Hg2\n1.0\n1.789922 -3.100236 0.000000\n1.789922 3.100236 0.000000\n0.000000 0.000000 5.734710\nHg\n2\ndirect\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.466899494409137,
"density_atomic": 0.031423870630583564,
"volume": 63.645883204899725,
"volume_molar": 19.164223372721302,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.60736073,
"energy_per_atom": -0.303680365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.60736073,
"band_gap": 0.2396999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.266000Z",
"spacegroup": 194
},
{
"id": "mp-673171",
"created_at": "2022-09-04T14:48:17.792638Z",
"structure_string": "Br1\n1.0\n-1.880400 1.880400 1.880400\n1.880400 -1.880400 1.880400\n1.880400 1.880400 -1.880400\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.988924128677636,
"density_atomic": 0.03760012434200997,
"volume": 26.595656729856003,
"volume_molar": 16.016278843183418,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.00736911,
"energy_per_atom": -1.00736911,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.00736911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4090095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.788000Z",
"spacegroup": 229
},
{
"id": "mp-604321",
"created_at": "2022-09-04T14:48:24.360907Z",
"structure_string": "Rb4\n1.0\n2.538581 -4.396951 0.000000\n2.538581 4.396951 0.000000\n0.000000 0.000000 16.471521\nRb\n4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5438505712149497,
"density_atomic": 0.01087811486369811,
"volume": 367.7107706730139,
"volume_molar": 55.36015049902424,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -3.91319338,
"energy_per_atom": -0.978298345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.91319338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:57.601000Z",
"spacegroup": 194
},
{
"id": "mp-723897",
"created_at": "2022-09-04T14:48:30.712339Z",
"structure_string": "P4\n1.0\n9.200000 0.000000 0.000000\n0.000000 9.200000 0.000000\n0.000000 0.000000 7.400000\nP\n4\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.625000 P\n0.500000 0.000000 0.375000 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3284699703709865,
"density_atomic": 0.006386348541357994,
"volume": 626.3359999999999,
"volume_molar": 94.29708887638398,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -7.57720448,
"energy_per_atom": -1.89430112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.57720448,
"band_gap": 2.1942,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:50.799000Z",
"spacegroup": 129
},
{
"id": "mp-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
}
]
}