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=1744",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=1742",
"results": [
{
"id": "mp-755325",
"created_at": "2022-09-04T14:46:17.237221Z",
"structure_string": "Co2 O2 F2\n1.0\n3.125345 -3.609355 0.000000\n3.125345 3.609355 0.000000\n0.000000 0.000000 2.912244\nCo O F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.309948 0.309948 0.000000 O\n0.690052 0.690052 0.000000 O\n0.190483 0.809517 0.500000 F\n0.809517 0.190483 0.500000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.747912550641833,
"density_atomic": 0.09132000592116588,
"volume": 65.7030180788604,
"volume_molar": 6.594547053795368,
"formula_full": "Co2 O2 F2",
"formula_reduced": "CoOF",
"formula_anonymous": "ABC",
"energy": -37.61638181,
"energy_per_atom": -6.269396968333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.04238181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.947000Z",
"spacegroup": 65
},
{
"id": "mp-1206473",
"created_at": "2022-09-04T14:46:12.504078Z",
"structure_string": "Pr2 Zn1 Sb3\n1.0\n9.486870 0.000000 0.000000\n0.000000 9.486870 0.000000\n0.000000 0.000000 41.142718\nPr Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242785 Pr\n0.500000 0.500000 0.757215 Pr\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.690792 Sb\n0.500000 0.500000 0.309208 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Sb"
],
"chemical_system": "Pr-Sb-Zn",
"density": 0.3195197511753382,
"density_atomic": 0.0016203632044126794,
"volume": 3702.8735185175806,
"volume_molar": 371.65375908315565,
"formula_full": "Pr2 Zn1 Sb3",
"formula_reduced": "Pr2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -12.0693538,
"energy_per_atom": -2.0115589666666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.4933538,
"band_gap": 0.1044,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1440606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.816000Z",
"spacegroup": 123
},
{
"id": "mp-546279",
"created_at": "2022-09-04T14:46:13.875910Z",
"structure_string": "Sc2 Br2 O2\n1.0\n3.576368 0.000000 0.000000\n0.000000 3.984475 0.000000\n0.000000 0.000000 8.983874\nSc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.103723 Sc\n0.500000 0.000000 0.896277 Sc\n0.500000 0.500000 0.325548 Br\n0.000000 0.000000 0.674452 Br\n0.500000 0.500000 0.969431 O\n0.000000 0.000000 0.030569 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Br",
"O"
],
"chemical_system": "Br-O-Sc",
"density": 3.6541611594729186,
"density_atomic": 0.04686777016845465,
"volume": 128.01974530545147,
"volume_molar": 12.8492154381463,
"formula_full": "Sc2 Br2 O2",
"formula_reduced": "ScBrO",
"formula_anonymous": "ABC",
"energy": -45.00647075,
"energy_per_atom": -7.501078458333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.56447075,
"band_gap": 3.236,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.05e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.952000Z",
"spacegroup": 59
},
{
"id": "mp-570032",
"created_at": "2022-09-04T14:46:11.584661Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n12.428180 -2.250659 0.000000\n12.428180 2.250659 0.000000\n12.020601 0.000000 3.876890\nCa Si Br\n3 1 2\ndirect\n0.131707 0.131707 0.131707 Ca\n0.000000 0.000000 0.000000 Ca\n0.868293 0.868293 0.868293 Ca\n0.500000 0.500000 0.500000 Si\n0.707208 0.707208 0.707208 Br\n0.292792 0.292792 0.292792 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.359113572144488,
"density_atomic": 0.027664354538670114,
"volume": 216.88559520204996,
"volume_molar": 21.768593052052093,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy": -22.07989162,
"energy_per_atom": -3.679981936666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.08289162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0205924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.563000Z",
"spacegroup": 166
},
{
"id": "mp-1214752",
"created_at": "2022-09-04T14:46:16.982217Z",
"structure_string": "Ba2 Ag1 Te2 F1\n1.0\n3.880280 0.000000 0.000000\n0.000000 3.880280 0.000000\n0.000000 0.000000 16.706570\nBa Ag Te F\n2 1 2 1\ndirect\n0.500000 0.500000 0.646683 Ba\n0.500000 0.500000 0.353318 Ba\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.157800 Te\n0.500000 0.500000 0.842200 Te\n0.500000 0.500000 0.500000 F\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Te",
"F"
],
"chemical_system": "Ag-Ba-F-Te",
"density": 4.335271629594071,
"density_atomic": 0.023852715326479323,
"volume": 251.54368875309106,
"volume_molar": 25.247191682679055,
"formula_full": "Ba2 Ag1 Te2 F1",
"formula_reduced": "Ba2AgTe2F",
"formula_anonymous": "ABC2D2",
"energy": -20.42043466,
"energy_per_atom": -3.4034057766666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.11443466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6279415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.580000Z",
"spacegroup": 123
},
{
"id": "mp-1541909",
"created_at": "2022-09-04T14:46:09.141547Z",
"structure_string": "Cs2 Te2 Au2\n1.0\n5.570999 0.000000 0.000000\n0.000000 7.826381 0.000000\n0.000000 0.000000 6.272051\nCs Te Au\n2 2 2\ndirect\n0.500000 0.250000 0.737748 Cs\n0.500000 0.750000 0.262252 Cs\n0.000000 0.750000 0.722190 Te\n0.000000 0.250000 0.277810 Te\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cs",
"Te",
"Au"
],
"chemical_system": "Au-Cs-Te",
"density": 5.555715307690348,
"density_atomic": 0.021940554671172098,
"volume": 273.4661949036073,
"volume_molar": 27.447531980185296,
"formula_full": "Cs2 Te2 Au2",
"formula_reduced": "CsTeAu",
"formula_anonymous": "ABC",
"energy": -19.75565517,
"energy_per_atom": -3.2926091950000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.91165517,
"band_gap": 1.416,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003857,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.967000Z",
"spacegroup": 51
},
{
"id": "mp-1077716",
"created_at": "2022-09-04T14:46:17.103927Z",
"structure_string": "Pt2 O4\n1.0\n4.596143 0.000000 0.000000\n0.000000 4.596143 0.000000\n0.000000 0.000000 3.250010\nPt O\n2 4\ndirect\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.809564 0.190436 0.500000 O\n0.190436 0.809564 0.500000 O\n0.309564 0.309564 0.000000 O\n0.690436 0.690436 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pt",
"O"
],
"chemical_system": "O-Pt",
"density": 10.984785263854587,
"density_atomic": 0.08739357155209476,
"volume": 68.654935293764,
"volume_molar": 6.89082807012898,
"formula_full": "Pt2 O4",
"formula_reduced": "PtO2",
"formula_anonymous": "AB2",
"energy": -37.25106735,
"energy_per_atom": -6.208511225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.50306735,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.565000Z",
"spacegroup": 136
},
{
"id": "mp-13434",
"created_at": "2022-09-04T14:46:11.032094Z",
"structure_string": "Ca1 Mg1 Ni4\n1.0\n0.000000 3.498004 3.498004\n3.498004 0.000000 3.498004\n3.498004 3.498004 0.000000\nCa Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Mg\n0.624298 0.624298 0.624298 Ni\n0.127105 0.624298 0.624298 Ni\n0.624298 0.127105 0.624298 Ni\n0.624298 0.624298 0.127105 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ni"
],
"chemical_system": "Ca-Mg-Ni",
"density": 5.803056315971546,
"density_atomic": 0.07009069226966322,
"volume": 85.6033776484318,
"volume_molar": 8.5919264955049,
"formula_full": "Ca1 Mg1 Ni4",
"formula_reduced": "CaMgNi4",
"formula_anonymous": "ABC4",
"energy": -27.91949194,
"energy_per_atom": -4.653248656666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.91949194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9952689,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.453000Z",
"spacegroup": 216
},
{
"id": "mp-1094474",
"created_at": "2022-09-04T14:46:15.927161Z",
"structure_string": "Mg3 Zn3\n1.0\n1.524973 -7.587880 0.000000\n1.524973 7.587880 0.000000\n0.000000 0.000000 4.800304\nMg Zn\n3 3\ndirect\n0.998286 0.001714 0.000000 Mg\n0.673049 0.326951 0.000000 Mg\n0.439279 0.560721 0.500000 Mg\n0.333241 0.666759 0.000000 Zn\n0.113130 0.886870 0.500000 Zn\n0.776348 0.223652 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.022992536024881,
"density_atomic": 0.054009468615251896,
"volume": 111.09163177927735,
"volume_molar": 11.15015739721496,
"formula_full": "Mg3 Zn3",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -8.70097106,
"energy_per_atom": -1.4501618433333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.70097106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.233000Z",
"spacegroup": 38
},
{
"id": "mp-1216551",
"created_at": "2022-09-04T14:46:13.202081Z",
"structure_string": "Tm2 Al2 Cu2\n1.0\n-2.685789 2.690278 3.740550\n2.685789 -2.690278 3.740550\n2.685789 2.690278 -3.740550\nTm Al Cu\n2 2 2\ndirect\n0.125137 0.875137 0.250000 Tm\n0.874863 0.124863 0.750000 Tm\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Tm",
"density": 7.970543331254593,
"density_atomic": 0.055499202657129716,
"volume": 108.10966126968688,
"volume_molar": 10.850859961366245,
"formula_full": "Tm2 Al2 Cu2",
"formula_reduced": "TmAlCu",
"formula_anonymous": "ABC",
"energy": -27.01658388,
"energy_per_atom": -4.50276398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.01658388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.226000Z",
"spacegroup": 74
},
{
"id": "mp-1217544",
"created_at": "2022-09-04T14:46:18.633146Z",
"structure_string": "Tb1 Fe1 Ni4\n1.0\n2.471597 -4.280931 0.000000\n2.471597 4.280931 0.000000\n0.000000 0.000000 3.924826\nTb Fe Ni\n1 1 4\ndirect\n0.666667 0.333333 0.000000 Tb\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.000000 Ni\n0.665918 0.832959 0.500000 Ni\n0.167041 0.832959 0.500000 Ni\n0.167041 0.334082 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni-Tb",
"density": 8.987832369632859,
"density_atomic": 0.07224120134538775,
"volume": 83.05509720573149,
"volume_molar": 8.336158103473293,
"formula_full": "Tb1 Fe1 Ni4",
"formula_reduced": "TbFeNi4",
"formula_anonymous": "ABC4",
"energy": -37.72281643,
"energy_per_atom": -6.287136071666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.72281643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0163676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.123000Z",
"spacegroup": 187
},
{
"id": "mp-1025122",
"created_at": "2022-09-04T14:46:13.582581Z",
"structure_string": "Lu2 Cu4\n1.0\n-2.111872 3.335769 3.596207\n2.111872 -3.335769 3.596207\n2.111872 3.335769 -3.596207\nLu Cu\n2 4\ndirect\n0.207902 0.457902 0.750000 Lu\n0.792098 0.542098 0.250000 Lu\n0.385227 0.835729 0.549498 Cu\n0.614773 0.164271 0.450502 Cu\n0.213769 0.164271 0.049498 Cu\n0.786231 0.835729 0.950502 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Cu"
],
"chemical_system": "Cu-Lu",
"density": 9.899257914364393,
"density_atomic": 0.05920835790403329,
"volume": 101.33704450518596,
"volume_molar": 10.171099103543574,
"formula_full": "Lu2 Cu4",
"formula_reduced": "LuCu2",
"formula_anonymous": "AB2",
"energy": -27.20447903,
"energy_per_atom": -4.534079838333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.20447903,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0201406,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.586000Z",
"spacegroup": 74
}
]
}