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=12137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12135",
"results": [
{
"id": "mp-1196985",
"created_at": "2022-09-04T14:39:35.769774Z",
"structure_string": "B48\n1.0\n7.292925 0.000000 0.000000\n0.000000 7.292925 0.000000\n0.000000 0.000000 7.292925\nB\n48\ndirect\n0.000011 0.859201 0.641296 B\n0.358704 0.000011 0.140799 B\n0.859201 0.358704 0.999989 B\n0.000011 0.140799 0.358704 B\n0.358704 0.999989 0.859201 B\n0.859201 0.641296 0.000011 B\n0.999989 0.859201 0.358704 B\n0.641296 0.000011 0.859201 B\n0.140799 0.358704 0.000011 B\n0.999989 0.140799 0.641296 B\n0.641296 0.999989 0.140799 B\n0.140799 0.641296 0.999989 B\n0.302145 0.500060 0.623780 B\n0.376220 0.302145 0.499940 B\n0.500060 0.376220 0.697855 B\n0.302145 0.499940 0.376220 B\n0.376220 0.697855 0.500060 B\n0.500060 0.623780 0.302145 B\n0.697855 0.500060 0.376220 B\n0.623780 0.302145 0.500060 B\n0.499940 0.376220 0.302145 B\n0.697855 0.499940 0.623780 B\n0.623780 0.697855 0.499940 B\n0.499940 0.623780 0.697855 B\n0.499865 0.218259 0.131228 B\n0.868772 0.499865 0.781741 B\n0.218259 0.868772 0.500135 B\n0.499865 0.781741 0.868772 B\n0.868772 0.500135 0.218259 B\n0.218259 0.131228 0.499865 B\n0.500135 0.218259 0.868772 B\n0.131228 0.499865 0.218259 B\n0.781741 0.868772 0.499865 B\n0.500135 0.781741 0.131228 B\n0.131228 0.500135 0.781741 B\n0.781741 0.131228 0.500135 B\n0.193840 0.999766 0.306496 B\n0.693504 0.193840 0.000234 B\n0.999766 0.693504 0.806160 B\n0.193840 0.000234 0.693504 B\n0.693504 0.806160 0.999766 B\n0.999766 0.306496 0.193840 B\n0.806160 0.999766 0.693504 B\n0.306496 0.193840 0.999766 B\n0.000234 0.693504 0.193840 B\n0.806160 0.000234 0.306496 B\n0.306496 0.806160 0.000234 B\n0.000234 0.306496 0.806160 B\n",
"nsites": 48,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.221523748064862,
"density_atomic": 0.12374737505459849,
"volume": 387.887015614044,
"volume_molar": 4.8664795979251885,
"formula_full": "B48",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -310.31119198,
"energy_per_atom": -6.464816499583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.31119198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7147173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.917000Z",
"spacegroup": 200
},
{
"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-95",
"created_at": "2022-09-04T14:39:34.815180Z",
"structure_string": "Sr1\n1.0\n-2.376775 2.376775 2.376775\n2.376775 -2.376775 2.376775\n2.376775 2.376775 -2.376775\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.709119378588865,
"density_atomic": 0.01861983364430939,
"volume": 53.70617262768193,
"volume_molar": 32.34261312447596,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.67643704,
"energy_per_atom": -1.67643704,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.67643704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001281,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.579000Z",
"spacegroup": 229
},
{
"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-568410",
"created_at": "2022-09-04T14:39:41.772477Z",
"structure_string": "C8\n1.0\n2.437810 -2.791910 0.000000\n2.437810 2.791910 0.000000\n0.000000 0.000000 4.272736\nC\n8\ndirect\n0.149233 0.850767 0.318941 C\n0.850767 0.149233 0.681059 C\n0.850767 0.149233 0.318941 C\n0.149233 0.850767 0.681059 C\n0.500000 0.000000 0.842957 C\n0.500000 0.000000 0.157043 C\n0.000000 0.500000 0.157043 C\n0.000000 0.500000 0.842957 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.7432796376249255,
"density_atomic": 0.1375474878860366,
"volume": 58.16173107158677,
"volume_molar": 4.378226641979515,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -69.75822787,
"energy_per_atom": -8.71977848375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.75822787,
"band_gap": 0.0281000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.412000Z",
"spacegroup": 65
},
{
"id": "mp-1018045",
"created_at": "2022-09-04T14:39:23.729043Z",
"structure_string": "Rb4\n1.0\n0.000000 8.713567 8.860589\n2.489080 0.000000 8.860589\n2.489080 8.713567 0.000000\nRb\n4\ndirect\n0.132512 0.867488 0.132512 Rb\n0.117488 0.382512 0.117488 Rb\n0.867488 0.132512 0.867488 Rb\n0.382512 0.117488 0.382512 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.4770125853323706,
"density_atomic": 0.010407168192274626,
"volume": 384.35047133851947,
"volume_molar": 57.865315989322745,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -3.62400847,
"energy_per_atom": -0.9060021175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.62400847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004443,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.677000Z",
"spacegroup": 70
},
{
"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-137",
"created_at": "2022-09-04T14:39:17.941879Z",
"structure_string": "Ge12\n1.0\n6.026650 0.000000 0.000000\n0.000000 6.026650 0.000000\n0.000000 0.000000 7.105868\nGe\n12\ndirect\n0.087648 0.087648 0.000000 Ge\n0.412352 0.587648 0.750000 Ge\n0.587648 0.412352 0.250000 Ge\n0.912352 0.912352 0.500000 Ge\n0.171399 0.370395 0.253228 Ge\n0.129605 0.671399 0.003228 Ge\n0.870395 0.328601 0.503228 Ge\n0.671399 0.129605 0.996772 Ge\n0.328601 0.870395 0.496772 Ge\n0.828601 0.629605 0.753228 Ge\n0.370395 0.171399 0.746772 Ge\n0.629605 0.828601 0.246772 Ge\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.608375747078466,
"density_atomic": 0.04649563352911399,
"volume": 258.0887513337356,
"volume_molar": 12.952056575869946,
"formula_full": "Ge12",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -53.68365537999999,
"energy_per_atom": -4.473637948333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.68365537999999,
"band_gap": 0.3433000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0044362,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.185000Z",
"spacegroup": 96
},
{
"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-971662",
"created_at": "2022-09-04T14:39:21.492207Z",
"structure_string": "Si46\n1.0\n10.227360 0.000000 0.000000\n0.000000 10.227360 0.000000\n0.000000 0.000000 10.227360\nSi\n46\ndirect\n0.000000 0.882820 0.307890 Si\n0.000000 0.117180 0.692110 Si\n0.000000 0.117180 0.307890 Si\n0.000000 0.882820 0.692110 Si\n0.307890 0.000000 0.882820 Si\n0.382820 0.500000 0.192110 Si\n0.692110 0.000000 0.117180 Si\n0.617180 0.500000 0.807890 Si\n0.307890 0.000000 0.117180 Si\n0.617180 0.500000 0.192110 Si\n0.692110 0.000000 0.882820 Si\n0.382820 0.500000 0.807890 Si\n0.882820 0.307890 0.000000 Si\n0.500000 0.807890 0.617180 Si\n0.117180 0.692110 0.000000 Si\n0.500000 0.192110 0.382820 Si\n0.882820 0.692110 0.000000 Si\n0.500000 0.192110 0.617180 Si\n0.117180 0.307890 0.000000 Si\n0.500000 0.807890 0.382820 Si\n0.192110 0.382820 0.500000 Si\n0.807890 0.617180 0.500000 Si\n0.192110 0.617180 0.500000 Si\n0.807890 0.382820 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.816380 0.816380 0.816380 Si\n0.183620 0.183620 0.183620 Si\n0.183620 0.183620 0.816380 Si\n0.183620 0.816380 0.183620 Si\n0.316380 0.316380 0.683620 Si\n0.816380 0.816380 0.183620 Si\n0.816380 0.183620 0.816380 Si\n0.683620 0.683620 0.316380 Si\n0.816380 0.183620 0.183620 Si\n0.683620 0.683620 0.683620 Si\n0.183620 0.816380 0.816380 Si\n0.316380 0.316380 0.316380 Si\n0.316380 0.683620 0.316380 Si\n0.683620 0.316380 0.683620 Si\n0.683620 0.316380 0.316380 Si\n0.316380 0.683620 0.683620 Si\n",
"nsites": 46,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.0053882191996553,
"density_atomic": 0.04299987587416823,
"volume": 1069.770529910624,
"volume_molar": 14.005018939177322,
"formula_full": "Si46",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -246.62492791,
"energy_per_atom": -5.3614114763043474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.62492791,
"band_gap": 1.3094,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.851000Z",
"spacegroup": 223
},
{
"id": "mp-975519",
"created_at": "2022-09-04T14:39:18.207240Z",
"structure_string": "Rb1\n1.0\n-2.468885 2.468885 3.730519\n2.468885 -2.468885 3.730519\n2.468885 2.468885 -3.730519\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5603450688293747,
"density_atomic": 0.01099433662959577,
"volume": 90.95591973308235,
"volume_molar": 54.77493515878835,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96390686,
"energy_per_atom": -0.96390686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96390686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.326000Z",
"spacegroup": 139
},
{
"id": "mp-1187777",
"created_at": "2022-09-04T14:39:19.200835Z",
"structure_string": "Xe4\n1.0\n3.967823 -8.557248 0.000000\n3.967823 8.557248 0.000000\n0.000000 0.000000 5.078424\nXe\n4\ndirect\n0.366897 0.633103 0.485509 Xe\n0.866897 0.133103 0.014491 Xe\n0.133103 0.866897 0.985509 Xe\n0.633103 0.366897 0.514491 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.528746521824349,
"density_atomic": 0.011598841907831548,
"volume": 344.8620156896178,
"volume_molar": 51.92019003150517,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.12689711,
"energy_per_atom": -0.0317242775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.12689711,
"band_gap": 6.152100000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.190000Z",
"spacegroup": 64
}
]
}