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=12177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12175",
"results": [
{
"id": "mp-984827",
"created_at": "2022-09-04T14:44:15.074983Z",
"structure_string": "Ba1 Nd1\n1.0\n1.981659 -3.432334 0.000000\n1.981659 3.432334 0.000000\n0.000000 0.000000 6.583923\nBa Nd\n1 1\ndirect\n0.333333 0.666667 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Nd"
],
"chemical_system": "Ba-Nd",
"density": 5.2203633346370495,
"density_atomic": 0.02233041480446464,
"volume": 89.56394305761526,
"volume_molar": 26.9683336056792,
"formula_full": "Ba1 Nd1",
"formula_reduced": "BaNd",
"formula_anonymous": "AB",
"energy": -6.22454086,
"energy_per_atom": -3.11227043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22454086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5151149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.740000Z",
"spacegroup": 187
},
{
"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-1060967",
"created_at": "2022-09-04T14:44:11.656243Z",
"structure_string": "Ag1 Br1\n1.0\n3.604067 0.000000 0.000000\n0.000000 3.604067 0.000000\n0.000000 0.000000 3.604067\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Br"
],
"chemical_system": "Ag-Br",
"density": 6.6604231893666155,
"density_atomic": 0.042721985449811054,
"volume": 46.814303664551375,
"volume_molar": 14.09611631246561,
"formula_full": "Ag1 Br1",
"formula_reduced": "AgBr",
"formula_anonymous": "AB",
"energy": -5.2948371,
"energy_per_atom": -2.64741855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7608371,
"band_gap": 0.1213999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.389000Z",
"spacegroup": 221
},
{
"id": "mp-1219456",
"created_at": "2022-09-04T14:44:12.067352Z",
"structure_string": "Sb1 Te1\n1.0\n1.919493 -3.028823 0.000000\n1.919493 3.028823 0.000000\n0.000000 0.000000 4.986726\nSb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 7.141179632808961,
"density_atomic": 0.03449245184158032,
"volume": 57.98370058428317,
"volume_molar": 17.459300335212376,
"formula_full": "Sb1 Te1",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
"energy": -7.17187567,
"energy_per_atom": -3.585937835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.74987567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0245395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.709000Z",
"spacegroup": 65
},
{
"id": "mp-1217812",
"created_at": "2022-09-04T14:44:15.380682Z",
"structure_string": "Ta1 V1\n1.0\n1.606700 -2.307775 0.000000\n1.606700 2.307775 0.000000\n0.000000 0.000000 4.341361\nTa V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 11.96040270853948,
"density_atomic": 0.062122058959320235,
"volume": 32.19468307239578,
"volume_molar": 9.694045659277833,
"formula_full": "Ta1 V1",
"formula_reduced": "TaV",
"formula_anonymous": "AB",
"energy": -20.77116494,
"energy_per_atom": -10.38558247,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.77116494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4025704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.232000Z",
"spacegroup": 65
},
{
"id": "mp-1220322",
"created_at": "2022-09-04T14:44:18.210338Z",
"structure_string": "Nb1 Re1\n1.0\n1.600317 -2.274366 0.000000\n1.600317 2.274366 0.000000\n0.000000 0.000000 4.535669\nNb Re\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Re"
],
"chemical_system": "Nb-Re",
"density": 14.037573111624948,
"density_atomic": 0.06057483968429644,
"volume": 33.01700855377558,
"volume_molar": 9.94165364924803,
"formula_full": "Nb1 Re1",
"formula_reduced": "NbRe",
"formula_anonymous": "AB",
"energy": -22.82601076,
"energy_per_atom": -11.41300538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.82601076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.296000Z",
"spacegroup": 65
},
{
"id": "mp-316",
"created_at": "2022-09-04T14:44:18.561868Z",
"structure_string": "Mn1 V1\n1.0\n2.874004 0.000000 0.000000\n0.000000 2.874004 0.000000\n0.000000 0.000000 2.874004\nMn V\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"V"
],
"chemical_system": "Mn-V",
"density": 7.406261790251696,
"density_atomic": 0.08424960840494479,
"volume": 23.738982742649945,
"volume_molar": 7.147974778772441,
"formula_full": "Mn1 V1",
"formula_reduced": "MnV",
"formula_anonymous": "AB",
"energy": -18.81408547,
"energy_per_atom": -9.407042735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.81408547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.75e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.516000Z",
"spacegroup": 221
},
{
"id": "mp-899",
"created_at": "2022-09-04T14:44:21.678728Z",
"structure_string": "In1 Rh1\n1.0\n3.243630 0.000000 0.000000\n0.000000 3.243630 0.000000\n0.000000 0.000000 3.243630\nIn Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Rh"
],
"chemical_system": "In-Rh",
"density": 10.594012453164604,
"density_atomic": 0.05860518890078251,
"volume": 34.12667099130015,
"volume_molar": 10.275780818990912,
"formula_full": "In1 Rh1",
"formula_reduced": "InRh",
"formula_anonymous": "AB",
"energy": -10.94364468,
"energy_per_atom": -5.47182234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.94364468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.159000Z",
"spacegroup": 221
},
{
"id": "mp-18",
"created_at": "2022-09-04T14:44:18.480501Z",
"structure_string": "Tb2\n1.0\n1.820192 -3.152665 0.000000\n1.820192 3.152665 0.000000\n0.000000 0.000000 5.663585\nTb\n2\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750000 Tb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.119996172618224,
"density_atomic": 0.03076901195376755,
"volume": 65.00046225095335,
"volume_molar": 19.572096657015376,
"formula_full": "Tb2",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -9.23090965,
"energy_per_atom": -4.615454825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.23090965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.991000Z",
"spacegroup": 194
},
{
"id": "mp-1184549",
"created_at": "2022-09-04T14:44:15.146096Z",
"structure_string": "Hf1 Tl1\n1.0\n1.615786 -2.798624 0.000000\n1.615786 2.798624 0.000000\n0.000000 0.000000 5.193433\nHf Tl\n1 1\ndirect\n0.000000 0.000000 0.500000 Hf\n0.666667 0.333333 0.000000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Tl"
],
"chemical_system": "Hf-Tl",
"density": 13.5360283434404,
"density_atomic": 0.042581119155458404,
"volume": 46.96917412382345,
"volume_molar": 14.142748897730723,
"formula_full": "Hf1 Tl1",
"formula_reduced": "HfTl",
"formula_anonymous": "AB",
"energy": -12.0500189,
"energy_per_atom": -6.02500945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.0500189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.176178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.772000Z",
"spacegroup": 187
},
{
"id": "mp-74",
"created_at": "2022-09-04T14:44:14.826248Z",
"structure_string": "Rh1\n1.0\n0.000000 1.921949 1.921949\n1.921949 0.000000 1.921949\n1.921949 1.921949 0.000000\nRh\n1\ndirect\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rh"
],
"chemical_system": "Rh",
"density": 12.034612504828418,
"density_atomic": 0.07042784935807943,
"volume": 14.198928536290465,
"volume_molar": 8.550794628672195,
"formula_full": "Rh1",
"formula_reduced": "Rh",
"formula_anonymous": "A",
"energy": -7.36430787,
"energy_per_atom": -7.36430787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.36430787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.841000Z",
"spacegroup": 225
},
{
"id": "mp-1065697",
"created_at": "2022-09-04T14:45:58.744371Z",
"structure_string": "O1\n1.0\n2.352226 0.000000 0.000000\n0.000000 2.352226 0.000000\n0.000000 0.000000 1.544743\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 3.1084112044634713,
"density_atomic": 0.11699994887126487,
"volume": 8.547012282033565,
"volume_molar": 5.147131103985495,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.36863,
"energy_per_atom": -3.36863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.712000Z",
"spacegroup": 123
}
]
}