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=10211",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10209",
"results": [
{
"id": "mp-4219",
"created_at": "2022-09-04T14:42:40.208550Z",
"structure_string": "Ce2 Ge2 Au2\n1.0\n2.235071 -3.871256 0.000000\n2.235071 3.871256 0.000000\n0.000000 0.000000 7.972990\nCe Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.502793 Ce\n0.000000 0.000000 0.002793 Ce\n0.333333 0.666667 0.728723 Ge\n0.666667 0.333333 0.228723 Ge\n0.666667 0.333333 0.771684 Au\n0.333333 0.666667 0.271684 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Au"
],
"chemical_system": "Au-Ce-Ge",
"density": 9.862216907942374,
"density_atomic": 0.043486736835679725,
"volume": 137.97310252714013,
"volume_molar": 13.848224075205827,
"formula_full": "Ce2 Ge2 Au2",
"formula_reduced": "CeGeAu",
"formula_anonymous": "ABC",
"energy": -32.13906319,
"energy_per_atom": -5.356510531666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.13906319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0002031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.809000Z",
"spacegroup": 186
},
{
"id": "mp-1094431",
"created_at": "2022-09-04T14:42:39.942680Z",
"structure_string": "Mg4 Zn2\n1.0\n1.544100 -2.674460 0.000000\n1.544100 2.674460 0.000000\n0.000000 0.000000 14.526551\nMg Zn\n4 2\ndirect\n0.666667 0.333333 0.908177 Mg\n0.666667 0.333333 0.591823 Mg\n0.333333 0.666667 0.408177 Mg\n0.333333 0.666667 0.091823 Mg\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.156111096797306,
"density_atomic": 0.05000888962106215,
"volume": 119.97866870199397,
"volume_molar": 12.042140518680238,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -8.92086078,
"energy_per_atom": -1.48681013,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.92086078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.62e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.071000Z",
"spacegroup": 194
},
{
"id": "mp-613652",
"created_at": "2022-09-04T14:42:46.664963Z",
"structure_string": "Pb2 Cl2 F2\n1.0\n5.058589 0.000000 0.000000\n0.000000 5.058589 0.000000\n0.000000 0.000000 6.274210\nPb Cl F\n2 2 2\ndirect\n0.500000 0.000000 0.751875 Pb\n0.000000 0.500000 0.248125 Pb\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.600944 F\n0.500000 0.000000 0.399056 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"Cl",
"F"
],
"chemical_system": "Cl-F-Pb",
"density": 5.412330642815677,
"density_atomic": 0.037370887275976615,
"volume": 160.55278419511922,
"volume_molar": 16.114524430548517,
"formula_full": "Pb2 Cl2 F2",
"formula_reduced": "PbClF",
"formula_anonymous": "ABC",
"energy": -26.33065623,
"energy_per_atom": -4.388442705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.17865623,
"band_gap": 3.3309,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.663000Z",
"spacegroup": 129
},
{
"id": "mp-20626",
"created_at": "2022-09-04T14:42:42.367404Z",
"structure_string": "Dy2 Ti2 Ge2\n1.0\n4.051952 0.000000 0.000000\n0.000000 4.051952 0.000000\n0.000000 0.000000 7.669846\nDy Ti Ge\n2 2 2\ndirect\n0.000000 0.500000 0.343535 Dy\n0.500000 0.000000 0.656465 Dy\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.244433 Ge\n0.000000 0.500000 0.755567 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Ti",
"Ge"
],
"chemical_system": "Dy-Ge-Ti",
"density": 7.463818032309636,
"density_atomic": 0.04764705058157004,
"volume": 125.92594770852008,
"volume_molar": 12.639063040618458,
"formula_full": "Dy2 Ti2 Ge2",
"formula_reduced": "DyTiGe",
"formula_anonymous": "ABC",
"energy": -38.38657106,
"energy_per_atom": -6.397761843333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.38657106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5323785,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.264000Z",
"spacegroup": 129
},
{
"id": "mp-1206174",
"created_at": "2022-09-04T14:42:50.457958Z",
"structure_string": "Er2 Se2 Br2\n1.0\n10.627907 0.000000 0.000000\n0.000000 14.667077 0.000000\n0.000000 0.000000 37.324549\nEr Se Br\n2 2 2\ndirect\n0.500000 0.500000 0.113880 Er\n0.500000 0.500000 0.886120 Er\n0.500000 0.500000 0.049739 Se\n0.500000 0.500000 0.950261 Se\n0.500000 0.500000 0.670544 Br\n0.500000 0.500000 0.329456 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Se",
"Br"
],
"chemical_system": "Br-Er-Se",
"density": 0.1861549700466786,
"density_atomic": 0.0010312533306593775,
"volume": 5818.163027084368,
"volume_molar": 583.9632785621627,
"formula_full": "Er2 Se2 Br2",
"formula_reduced": "ErSeBr",
"formula_anonymous": "ABC",
"energy": -15.967361830000002,
"energy_per_atom": -2.6612269716666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.955361829999998,
"band_gap": 0.1027000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3849766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.456000Z",
"spacegroup": 47
},
{
"id": "mp-2463",
"created_at": "2022-09-04T14:42:46.659291Z",
"structure_string": "Lu2 Fe4\n1.0\n0.000000 3.573101 3.573101\n3.573101 0.000000 3.573101\n3.573101 3.573101 0.000000\nLu Fe\n2 4\ndirect\n0.500000 0.500000 0.500000 Lu\n0.750000 0.750000 0.750000 Lu\n0.125000 0.125000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Fe"
],
"chemical_system": "Fe-Lu",
"density": 10.43459918377121,
"density_atomic": 0.0657635694372372,
"volume": 91.2359236480651,
"volume_molar": 9.15725957628768,
"formula_full": "Lu2 Fe4",
"formula_reduced": "LuFe2",
"formula_anonymous": "AB2",
"energy": -43.97230081,
"energy_per_atom": -7.328716801666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.97230081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.1923439,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.844000Z",
"spacegroup": 227
},
{
"id": "mp-27984",
"created_at": "2022-09-04T14:42:42.006002Z",
"structure_string": "Pr2 Cl2 O2\n1.0\n4.107600 0.000000 0.000000\n0.000000 4.107600 0.000000\n0.000000 0.000000 6.881233\nPr Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.826324 Pr\n0.000000 0.500000 0.173676 Pr\n0.000000 0.500000 0.627467 Cl\n0.500000 0.000000 0.372533 Cl\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pr",
"density": 5.502390651882784,
"density_atomic": 0.05167835686297249,
"volume": 116.10276263057807,
"volume_molar": 11.653119653103484,
"formula_full": "Pr2 Cl2 O2",
"formula_reduced": "PrClO",
"formula_anonymous": "ABC",
"energy": -43.9047607,
"energy_per_atom": -7.317460116666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.3027607,
"band_gap": 4.7029,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.440000Z",
"spacegroup": 129
},
{
"id": "mp-1076987",
"created_at": "2022-09-04T14:42:46.929592Z",
"structure_string": "Ta2 Ni2 B2\n1.0\n1.647871 -6.645353 0.000000\n1.647871 6.645353 0.000000\n0.000000 0.000000 3.055983\nTa Ni B\n2 2 2\ndirect\n0.901461 0.098539 0.750000 Ta\n0.098539 0.901461 0.250000 Ta\n0.703911 0.296089 0.750000 Ni\n0.296089 0.703911 0.250000 Ni\n0.535086 0.464914 0.750000 B\n0.464914 0.535086 0.250000 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"B"
],
"chemical_system": "B-Ni-Ta",
"density": 12.427446056912062,
"density_atomic": 0.0896456156852249,
"volume": 66.93021130077308,
"volume_molar": 6.71771922582997,
"formula_full": "Ta2 Ni2 B2",
"formula_reduced": "TaNiB",
"formula_anonymous": "ABC",
"energy": -52.33465365000001,
"energy_per_atom": -8.722442275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.33465365000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.74e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.689000Z",
"spacegroup": 63
},
{
"id": "mp-1225786",
"created_at": "2022-09-04T14:42:41.771370Z",
"structure_string": "Cu2 Sn1 Se3\n1.0\n-2.057903 2.876406 6.135729\n2.057903 -2.876406 6.135729\n2.057903 2.876406 -6.135729\nCu Sn Se\n2 1 3\ndirect\n0.837652 0.830385 0.007267 Cu\n0.176881 0.169615 0.007267 Cu\n0.482214 0.500000 0.982214 Sn\n0.056756 0.322198 0.734558 Se\n0.412360 0.677802 0.734558 Se\n0.784134 0.000000 0.784134 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.517075837369326,
"density_atomic": 0.04129999538542725,
"volume": 145.2784665955945,
"volume_molar": 14.581456253927135,
"formula_full": "Cu2 Sn1 Se3",
"formula_reduced": "Cu2SnSe3",
"formula_anonymous": "AB2C3",
"energy": -25.78292826,
"energy_per_atom": -4.29715471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.36692826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.324000Z",
"spacegroup": 44
},
{
"id": "mp-684583",
"created_at": "2022-09-04T14:42:46.670746Z",
"structure_string": "Cs2 O4\n1.0\n4.848894 0.000000 0.000000\n0.000000 4.879562 0.000000\n0.000000 0.000000 6.857440\nCs O\n2 4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.886228 0.000000 0.442432 O\n0.386228 0.500000 0.057568 O\n0.613772 0.500000 0.942432 O\n0.113772 0.000000 0.557568 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cs",
"O"
],
"chemical_system": "Cs-O",
"density": 3.3754011934274315,
"density_atomic": 0.036979897512242274,
"volume": 162.25031445838073,
"volume_molar": 16.284903867043862,
"formula_full": "Cs2 O4",
"formula_reduced": "CsO2",
"formula_anonymous": "AB2",
"energy": -27.19538761,
"energy_per_atom": -4.5325646016666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.55138761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.753000Z",
"spacegroup": 58
},
{
"id": "mp-568058",
"created_at": "2022-09-04T14:42:46.914949Z",
"structure_string": "Yb2 In4\n1.0\n2.467538 -4.273901 0.000000\n2.467538 4.273901 0.000000\n0.000000 0.000000 7.642628\nYb In\n2 4\ndirect\n0.000000 0.000000 0.250000 Yb\n0.000000 0.000000 0.750000 Yb\n0.333333 0.666667 0.046341 In\n0.333333 0.666667 0.453659 In\n0.666667 0.333333 0.953659 In\n0.666667 0.333333 0.546341 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"In"
],
"chemical_system": "In-Yb",
"density": 8.296096874555632,
"density_atomic": 0.03722118762064435,
"volume": 161.1985104062655,
"volume_molar": 16.17933533281426,
"formula_full": "Yb2 In4",
"formula_reduced": "YbIn2",
"formula_anonymous": "AB2",
"energy": -16.84143186,
"energy_per_atom": -2.80690531,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.84143186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052864,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.150000Z",
"spacegroup": 194
},
{
"id": "mp-23024",
"created_at": "2022-09-04T14:42:49.446275Z",
"structure_string": "Sr2 Br2 F2\n1.0\n4.256561 0.000000 0.000000\n0.000000 4.256561 0.000000\n0.000000 0.000000 7.504809\nSr Br F\n2 2 2\ndirect\n0.000000 0.500000 0.815369 Sr\n0.500000 0.000000 0.184631 Sr\n0.500000 0.000000 0.647022 Br\n0.000000 0.500000 0.352978 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Br",
"F"
],
"chemical_system": "Br-F-Sr",
"density": 4.555674942012163,
"density_atomic": 0.04412593119604896,
"volume": 135.97446756063565,
"volume_molar": 13.647623056936697,
"formula_full": "Sr2 Br2 F2",
"formula_reduced": "SrBrF",
"formula_anonymous": "ABC",
"energy": -30.84411317,
"energy_per_atom": -5.140685528333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.85211317,
"band_gap": 5.0036,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.961000Z",
"spacegroup": 129
}
]
}