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=density&page=10239",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10237",
"results": [
{
"id": "mp-1078507",
"created_at": "2022-09-04T14:46:08.595040Z",
"structure_string": "Nd2 Ni2 Sb4\n1.0\n4.426187 0.000000 0.000000\n0.000000 4.426187 0.000000\n0.000000 0.000000 9.712751\nNd Ni Sb\n2 2 4\ndirect\n0.000000 0.500000 0.741840 Nd\n0.500000 0.000000 0.258160 Nd\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.367893 Sb\n0.500000 0.000000 0.632107 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"Sb"
],
"chemical_system": "Nd-Ni-Sb",
"density": 7.792115864791489,
"density_atomic": 0.042042469256476526,
"volume": 190.2837806979575,
"volume_molar": 14.32394639635089,
"formula_full": "Nd2 Ni2 Sb4",
"formula_reduced": "NdNiSb2",
"formula_anonymous": "ABC2",
"energy": -44.1525646,
"energy_per_atom": -5.519070575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.3845646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002105,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.199000Z",
"spacegroup": 129
},
{
"id": "mp-1222954",
"created_at": "2022-09-04T14:40:24.919011Z",
"structure_string": "La4 Lu4 C12\n1.0\n-4.209008 4.209008 4.209008\n4.209008 -4.209008 4.209008\n4.209008 4.209008 -4.209008\nLa Lu C\n4 4 12\ndirect\n0.888978 0.888978 0.888978 La\n0.611022 0.500000 0.000000 La\n0.000000 0.611022 0.500000 La\n0.500000 0.000000 0.611022 La\n0.099708 0.500000 0.000000 Lu\n0.400292 0.400292 0.400292 Lu\n0.000000 0.099708 0.500000 Lu\n0.500000 0.000000 0.099708 Lu\n0.750000 0.439036 0.689036 C\n0.250000 0.060964 0.810964 C\n0.250000 0.220108 0.970108 C\n0.750000 0.279892 0.529892 C\n0.060964 0.810964 0.250000 C\n0.439036 0.689036 0.750000 C\n0.279892 0.529892 0.750000 C\n0.220108 0.970108 0.250000 C\n0.689036 0.750000 0.439036 C\n0.810964 0.250000 0.060964 C\n0.970108 0.250000 0.220108 C\n0.529892 0.750000 0.279892 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"Lu",
"C"
],
"chemical_system": "C-La-Lu",
"density": 7.792188654112232,
"density_atomic": 0.06705493574970357,
"volume": 298.2629060246085,
"volume_molar": 8.980906017834222,
"formula_full": "La4 Lu4 C12",
"formula_reduced": "LaLuC3",
"formula_anonymous": "ABC3",
"energy": -151.58111326,
"energy_per_atom": -7.579055663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.58111326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0162796,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.191000Z",
"spacegroup": 199
},
{
"id": "mp-21202",
"created_at": "2022-09-04T14:42:16.212218Z",
"structure_string": "Sm3 In1\n1.0\n4.940546 0.000000 0.000000\n0.000000 4.940546 0.000000\n0.000000 0.000000 4.940546\nSm In\n3 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"In"
],
"chemical_system": "In-Sm",
"density": 7.792241695633621,
"density_atomic": 0.033169211655290076,
"volume": 120.59376151504192,
"volume_molar": 18.15581516553633,
"formula_full": "Sm3 In1",
"formula_reduced": "Sm3In",
"formula_anonymous": "AB3",
"energy": -17.98246082,
"energy_per_atom": -4.495615205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.98246082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0649982,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.494000Z",
"spacegroup": 221
},
{
"id": "mp-1225634",
"created_at": "2022-09-04T14:41:48.074555Z",
"structure_string": "Dy3 Mn3 Ga2 Si1\n1.0\n3.486603 -6.038973 0.000000\n3.486603 6.038973 0.000000\n0.000000 0.000000 4.148716\nDy Mn Ga Si\n3 3 2 1\ndirect\n0.003781 0.421909 0.500000 Dy\n0.578091 0.581872 0.500000 Dy\n0.418128 0.996219 0.500000 Dy\n0.011616 0.770263 0.000000 Mn\n0.229737 0.241353 0.000000 Mn\n0.758647 0.988384 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Si\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Dy",
"Mn",
"Ga",
"Si"
],
"chemical_system": "Dy-Ga-Mn-Si",
"density": 7.7924118280969354,
"density_atomic": 0.05151494258356949,
"volume": 174.70659091582718,
"volume_molar": 11.69008535772054,
"formula_full": "Dy3 Mn3 Ga2 Si1",
"formula_reduced": "Dy3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
"energy": -55.81372409,
"energy_per_atom": -6.201524898888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.88472409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.5040447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.689000Z",
"spacegroup": 174
},
{
"id": "mp-755219",
"created_at": "2022-09-04T14:42:22.256048Z",
"structure_string": "Sc1 Tl1 O2\n1.0\n6.548498 -1.634234 0.000000\n6.548498 1.634234 0.000000\n6.140661 0.000000 2.801041\nSc Tl O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Tl\n0.221218 0.221218 0.221218 O\n0.778782 0.778782 0.778782 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"O"
],
"chemical_system": "O-Sc-Tl",
"density": 7.79241564085234,
"density_atomic": 0.06671977744103115,
"volume": 59.95223835294287,
"volume_molar": 9.026020455962314,
"formula_full": "Sc1 Tl1 O2",
"formula_reduced": "ScTlO2",
"formula_anonymous": "ABC2",
"energy": -29.32081654,
"energy_per_atom": -7.330204135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.94681654,
"band_gap": 0.8223000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.053000Z",
"spacegroup": 166
},
{
"id": "mp-1209038",
"created_at": "2022-09-04T14:44:04.010874Z",
"structure_string": "Sm12 Co4 Sn2\n1.0\n-4.782164 4.955847 5.119475\n4.782164 -4.955847 5.119475\n4.782164 4.955847 -5.119475\nSm Co Sn\n12 4 2\ndirect\n0.185915 0.288714 0.474628 Sm\n0.814085 0.711286 0.525372 Sm\n0.185915 0.711286 0.897201 Sm\n0.814085 0.288714 0.102799 Sm\n0.438273 0.229988 0.208285 Sm\n0.561727 0.770012 0.791715 Sm\n0.021704 0.229988 0.791715 Sm\n0.978296 0.770012 0.208285 Sm\n0.317543 0.626074 0.308531 Sm\n0.682457 0.373926 0.691469 Sm\n0.317543 0.009012 0.691469 Sm\n0.682457 0.990988 0.308531 Sm\n0.107987 0.607987 0.500000 Co\n0.892013 0.392013 0.500000 Co\n0.372275 0.000000 0.372275 Co\n0.627725 0.000000 0.627725 Co\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Sn"
],
"chemical_system": "Co-Sm-Sn",
"density": 7.792458871891804,
"density_atomic": 0.037088966471278115,
"volume": 485.3195360388188,
"volume_molar": 16.23701422002033,
"formula_full": "Sm12 Co4 Sn2",
"formula_reduced": "Sm6Co2Sn",
"formula_anonymous": "AB2C6",
"energy": -97.76454642,
"energy_per_atom": -5.43136369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.76454642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.467000Z",
"spacegroup": 71
},
{
"id": "mp-7497",
"created_at": "2022-09-04T14:47:36.734185Z",
"structure_string": "Th1 Si2\n1.0\n2.062339 -3.572077 0.000000\n2.062339 3.572077 0.000000\n0.000000 0.000000 4.168382\nTh Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Si"
],
"chemical_system": "Si-Th",
"density": 7.792527656352213,
"density_atomic": 0.04884756062730624,
"volume": 61.41555405169961,
"volume_molar": 12.32843704509078,
"formula_full": "Th1 Si2",
"formula_reduced": "ThSi2",
"formula_anonymous": "AB2",
"energy": -19.98226593,
"energy_per_atom": -6.66075531,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.12426593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.993000Z",
"spacegroup": 191
},
{
"id": "mp-1220651",
"created_at": "2022-09-04T14:47:40.973026Z",
"structure_string": "Nd2 Mn17 C2\n1.0\n4.322430 2.483073 4.120912\n-4.322430 2.483073 4.120912\n0.000000 -4.970920 4.123906\nNd Mn C\n2 17 2\ndirect\n0.645356 0.645356 0.661555 Nd\n0.354644 0.354644 0.338445 Nd\n0.908489 0.908489 0.907458 Mn\n0.091511 0.091511 0.092542 Mn\n0.268248 0.731752 0.000000 Mn\n0.720443 0.996586 0.282183 Mn\n0.003414 0.279557 0.717817 Mn\n0.279557 0.003414 0.717817 Mn\n0.996586 0.720443 0.282183 Mn\n0.731752 0.268248 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.869315 0.333821 0.335827 Mn\n0.343754 0.343754 0.865349 Mn\n0.333821 0.869315 0.335827 Mn\n0.130685 0.666179 0.664173 Mn\n0.656246 0.656246 0.134651 Mn\n0.666179 0.130685 0.664173 Mn\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Nd",
"Mn",
"C"
],
"chemical_system": "C-Mn-Nd",
"density": 7.792545219613161,
"density_atomic": 0.07906311337308712,
"volume": 265.6105875935357,
"volume_molar": 7.616877837307531,
"formula_full": "Nd2 Mn17 C2",
"formula_reduced": "Nd2Mn17C2",
"formula_anonymous": "A2B2C17",
"energy": -184.25129837,
"energy_per_atom": -8.773871350952382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.25129837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2221053,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.704000Z",
"spacegroup": 12
},
{
"id": "mp-3177",
"created_at": "2022-09-04T14:39:12.706731Z",
"structure_string": "Nd1 Cu2 Ge2\n1.0\n-2.073530 2.073530 5.161961\n2.073530 -2.073530 5.161961\n2.073530 2.073530 -5.161961\nNd Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.622212 0.622212 0.000000 Ge\n0.377788 0.377788 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Nd",
"density": 7.792693603880607,
"density_atomic": 0.05632155640273521,
"volume": 88.77595576810408,
"volume_molar": 10.692426034781134,
"formula_full": "Nd1 Cu2 Ge2",
"formula_reduced": "Nd(CuGe)2",
"formula_anonymous": "AB2C2",
"energy": -24.89637155,
"energy_per_atom": -4.97927431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.89637155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.911000Z",
"spacegroup": 139
},
{
"id": "mp-1204334",
"created_at": "2022-09-04T14:47:18.588866Z",
"structure_string": "Sm6 Co8 Ge26\n1.0\n8.858489 0.000000 0.000000\n0.000000 8.858489 0.000000\n0.000000 0.000000 8.858489\nSm Co Ge\n6 8 26\ndirect\n0.000000 0.500000 0.750000 Sm\n0.500000 0.250000 0.000000 Sm\n0.750000 0.000000 0.500000 Sm\n0.000000 0.500000 0.250000 Sm\n0.500000 0.750000 0.000000 Sm\n0.250000 0.000000 0.500000 Sm\n0.750000 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.801176 0.346796 0.500000 Ge\n0.653204 0.500000 0.801176 Ge\n0.500000 0.198824 0.653204 Ge\n0.198824 0.653204 0.500000 Ge\n0.346796 0.500000 0.198824 Ge\n0.500000 0.801176 0.346796 Ge\n0.801176 0.653204 0.500000 Ge\n0.653204 0.500000 0.198824 Ge\n0.198824 0.346796 0.500000 Ge\n0.346796 0.500000 0.801176 Ge\n0.500000 0.801176 0.653204 Ge\n0.500000 0.198824 0.346796 Ge\n0.301176 0.000000 0.846796 Ge\n0.153204 0.301176 0.000000 Ge\n0.000000 0.153204 0.698824 Ge\n0.698824 0.000000 0.153204 Ge\n0.846796 0.698824 0.000000 Ge\n0.000000 0.846796 0.301176 Ge\n0.301176 0.000000 0.153204 Ge\n0.153204 0.698824 0.000000 Ge\n0.698824 0.000000 0.846796 Ge\n0.846796 0.301176 0.000000 Ge\n0.000000 0.153204 0.301176 Ge\n0.000000 0.846796 0.698824 Ge\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Sm",
"density": 7.792726928825435,
"density_atomic": 0.05754148167612314,
"volume": 695.1506779951065,
"volume_molar": 10.465738080739918,
"formula_full": "Sm6 Co8 Ge26",
"formula_reduced": "Sm3Co4Ge13",
"formula_anonymous": "A3B4C13",
"energy": -221.80959038,
"energy_per_atom": -5.5452397595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.80959038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.749000Z",
"spacegroup": 223
},
{
"id": "mp-1221589",
"created_at": "2022-09-04T14:48:13.840437Z",
"structure_string": "Mn1 V1 Te2\n1.0\n-2.102363 -3.635540 -0.000802\n-2.102363 3.635540 0.000802\n0.000000 -0.001204 -5.033299\nMn V Te\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 V\n0.666457 0.333543 0.739349 Te\n0.333543 0.666457 0.260651 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"V",
"Te"
],
"chemical_system": "Mn-Te-V",
"density": 7.792784186914375,
"density_atomic": 0.05198770625693378,
"volume": 76.94126723404932,
"volume_molar": 11.583778538405522,
"formula_full": "Mn1 V1 Te2",
"formula_reduced": "MnVTe2",
"formula_anonymous": "ABC2",
"energy": -25.23516845,
"energy_per_atom": -6.3087921125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.39116845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3899393,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.419000Z",
"spacegroup": 164
},
{
"id": "mp-1105666",
"created_at": "2022-09-04T14:45:19.271757Z",
"structure_string": "Rh8 Se12\n1.0\n6.401120 0.000000 0.000000\n0.000000 6.528961 0.000000\n0.000000 0.000000 9.028515\nRh Se\n8 12\ndirect\n0.748233 0.532482 0.107647 Rh\n0.751767 0.032482 0.392353 Rh\n0.751767 0.467518 0.607647 Rh\n0.748233 0.967518 0.892353 Rh\n0.251767 0.467518 0.892353 Rh\n0.248233 0.967518 0.607647 Rh\n0.248233 0.532482 0.392353 Rh\n0.251767 0.032482 0.107647 Rh\n0.609707 0.894619 0.151496 Se\n0.890293 0.394619 0.348504 Se\n0.890293 0.105381 0.651496 Se\n0.609707 0.605381 0.848504 Se\n0.390293 0.105381 0.848504 Se\n0.109707 0.605381 0.651496 Se\n0.109707 0.894619 0.348504 Se\n0.390293 0.394619 0.151496 Se\n0.044690 0.750000 0.000000 Se\n0.455310 0.250000 0.500000 Se\n0.955310 0.250000 0.000000 Se\n0.544690 0.750000 0.500000 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Rh",
"Se"
],
"chemical_system": "Rh-Se",
"density": 7.7927979191688586,
"density_atomic": 0.05300460818007113,
"volume": 377.32568330765764,
"volume_molar": 11.361541886209483,
"formula_full": "Rh8 Se12",
"formula_reduced": "Rh2Se3",
"formula_anonymous": "A2B3",
"energy": -114.65217982,
"energy_per_atom": -5.732608991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.98817982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016785,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.339000Z",
"spacegroup": 60
}
]
}