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=-nsites&page=12182",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12180",
"results": [
{
"id": "mp-81",
"created_at": "2022-09-04T14:39:13.991322Z",
"structure_string": "Au1\n1.0\n0.000000 2.085644 2.085644\n2.085644 0.000000 2.085644\n2.085644 2.085644 0.000000\nAu\n1\ndirect\n0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.02565607297311,
"density_atomic": 0.05511241768155413,
"volume": 18.144731116281537,
"volume_molar": 10.927012483459935,
"formula_full": "Au1",
"formula_reduced": "Au",
"formula_anonymous": "A",
"energy": -3.27388154,
"energy_per_atom": -3.27388154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27388154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.101000Z",
"spacegroup": 225
},
{
"id": "mp-674158",
"created_at": "2022-09-04T14:41:51.266078Z",
"structure_string": "P1\n1.0\n0.000000 3.936770 3.936770\n3.936770 0.000000 3.936770\n3.936770 3.936770 0.000000\nP\n1\ndirect\n0.000000 0.000000 0.000000 P\n",
"nsites": 1,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.42149548918761226,
"density_atomic": 0.00819501733909508,
"volume": 122.02536719835948,
"volume_molar": 73.48539375592077,
"formula_full": "P1",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -1.89552785,
"energy_per_atom": -1.89552785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.89552785,
"band_gap": 2.0034,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.730000Z",
"spacegroup": 225
},
{
"id": "mp-1010048",
"created_at": "2022-09-04T14:41:52.170840Z",
"structure_string": "Br1\n1.0\n-1.437199 1.437199 4.380070\n1.437199 -1.437199 4.380070\n1.437199 1.437199 -4.380070\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.6664246398216287,
"density_atomic": 0.027632815972377392,
"volume": 36.188856068799886,
"volume_molar": 21.793438518969317,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.43585196,
"energy_per_atom": -1.43585196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.43585196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.768000Z",
"spacegroup": 139
},
{
"id": "mp-1186429",
"created_at": "2022-09-04T14:41:33.995780Z",
"structure_string": "Pm1\n1.0\n0.000000 2.584081 2.584081\n2.584081 0.000000 2.584081\n2.584081 2.584081 0.000000\nPm\n1\ndirect\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pm"
],
"chemical_system": "Pm",
"density": 6.977000201890157,
"density_atomic": 0.028976880905414445,
"volume": 34.5102705589388,
"volume_molar": 20.782570697161333,
"formula_full": "Pm1",
"formula_reduced": "Pm",
"formula_anonymous": "A",
"energy": -4.74098422,
"energy_per_atom": -4.74098422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.74098422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.603000Z",
"spacegroup": 225
},
{
"id": "mp-1008669",
"created_at": "2022-09-04T14:42:04.436755Z",
"structure_string": "U1\n1.0\n0.000000 2.216057 2.216057\n2.216057 0.000000 2.216057\n2.216057 2.216057 0.000000\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.159589588452988,
"density_atomic": 0.04594383290806428,
"volume": 21.76570687955108,
"volume_molar": 13.107615056955694,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.91983266,
"energy_per_atom": -10.91983266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.91983266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0970341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.974000Z",
"spacegroup": 225
},
{
"id": "mp-1056831",
"created_at": "2022-09-04T14:42:05.634261Z",
"structure_string": "O1\n1.0\n1.520366 0.000000 0.000000\n0.000000 3.095662 0.000000\n0.000000 1.031631 4.600127\nO\n1\ndirect\n0.500000 0.000000 0.500000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.227103760216571,
"density_atomic": 0.046187929382997074,
"volume": 21.65067829102824,
"volume_molar": 13.03834322180483,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.63686277,
"energy_per_atom": -3.63686277,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.63686277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.778000Z",
"spacegroup": 10
},
{
"id": "mp-10018",
"created_at": "2022-09-04T14:42:04.680859Z",
"structure_string": "Ac1\n1.0\n0.000000 2.831128 2.831128\n2.831128 0.000000 2.831128\n2.831128 2.831128 0.000000\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.305512650126095,
"density_atomic": 0.022033905850354526,
"volume": 45.38459984315082,
"volume_molar": 27.331244859172816,
"formula_full": "Ac1",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -4.10076552,
"energy_per_atom": -4.10076552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.10076552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.982000Z",
"spacegroup": 225
},
{
"id": "mp-972256",
"created_at": "2022-09-04T14:42:15.153334Z",
"structure_string": "Xe1\n1.0\n4.139024 -2.528659 0.000000\n4.139024 2.528659 0.000000\n2.594187 0.000000 4.098272\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.5413921450114025,
"density_atomic": 0.011656844789064112,
"volume": 85.78650724921306,
"volume_molar": 51.66184219635215,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03617417,
"energy_per_atom": -0.03617417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03617417,
"band_gap": 6.3353,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.098000Z",
"spacegroup": 166
},
{
"id": "mp-998881",
"created_at": "2022-09-04T14:42:23.500908Z",
"structure_string": "K1\n1.0\n4.323110 0.000000 0.000000\n0.000000 4.323110 0.000000\n0.000000 0.000000 4.323110\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.803559636532303,
"density_atomic": 0.012376878897354294,
"volume": 80.79581357249621,
"volume_molar": 48.656376215229066,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -0.99023383,
"energy_per_atom": -0.99023383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.99023383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.947000Z",
"spacegroup": 221
},
{
"id": "mp-974558",
"created_at": "2022-09-04T14:42:13.360169Z",
"structure_string": "Na1\n1.0\n0.000000 2.626732 2.626732\n2.626732 0.000000 2.626732\n2.626732 2.626732 0.000000\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.053189255791349,
"density_atomic": 0.027588158324862336,
"volume": 36.24743588261939,
"volume_molar": 21.828716107420878,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -1.31163779,
"energy_per_atom": -1.31163779,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.31163779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.821000Z",
"spacegroup": 225
},
{
"id": "mp-73",
"created_at": "2022-09-04T14:42:12.963031Z",
"structure_string": "Ti1\n1.0\n-1.625750 1.625750 1.625750\n1.625750 -1.625750 1.625750\n1.625750 1.625750 -1.625750\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.624491948033271,
"density_atomic": 0.058180670324371915,
"volume": 17.1878390954375,
"volume_molar": 10.350758639295572,
"formula_full": "Ti1",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -7.78345591,
"energy_per_atom": -7.78345591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.78345591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075046,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.302000Z",
"spacegroup": 229
},
{
"id": "mp-8632",
"created_at": "2022-09-04T14:42:47.362829Z",
"structure_string": "V1\n1.0\n0.000000 1.909544 1.909544\n1.909544 0.000000 1.909544\n1.909544 1.909544 0.000000\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.0743780976875925,
"density_atomic": 0.07180934983535475,
"volume": 13.92576318115692,
"volume_molar": 8.386290606735237,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"energy": -8.83676567,
"energy_per_atom": -8.83676567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.83676567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.043000Z",
"spacegroup": 225
}
]
}