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=-volume&page=12119",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12117",
"results": [
{
"id": "mp-571386",
"created_at": "2022-09-04T14:47:02.298162Z",
"structure_string": "Cu1 Cl1\n1.0\n0.000000 2.555898 2.555898\n2.555898 0.000000 2.555898\n2.555898 2.555898 0.000000\nCu Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu",
"density": 4.922881196929805,
"density_atomic": 0.059892086835046196,
"volume": 33.39339311232162,
"volume_molar": 10.054985688820762,
"formula_full": "Cu1 Cl1",
"formula_reduced": "CuCl",
"formula_anonymous": "AB",
"energy": -6.96681255,
"energy_per_atom": -3.483406275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.35281255,
"band_gap": 0.3260999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.175000Z",
"spacegroup": 225
},
{
"id": "mp-1009751",
"created_at": "2022-09-04T14:39:32.897839Z",
"structure_string": "Sc1 C1\n1.0\n0.000000 2.555707 2.555707\n2.555707 0.000000 2.555707\n2.555707 2.555707 0.000000\nSc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 2.8333896659072995,
"density_atomic": 0.05990551589032454,
"volume": 33.38590729544195,
"volume_molar": 10.052731656673117,
"formula_full": "Sc1 C1",
"formula_reduced": "ScC",
"formula_anonymous": "AB",
"energy": -14.61028484,
"energy_per_atom": -7.30514242,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.61028484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.478000Z",
"spacegroup": 216
},
{
"id": "mp-10681",
"created_at": "2022-09-04T14:42:24.979783Z",
"structure_string": "B2 Au1\n1.0\n1.506233 -2.608871 0.000000\n1.506233 2.608871 0.000000\n0.000000 0.000000 4.239683\nB Au\n2 1\ndirect\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Au"
],
"chemical_system": "Au-B",
"density": 10.893524124301644,
"density_atomic": 0.09003536091359517,
"volume": 33.320241842302714,
"volume_molar": 6.6886395510529555,
"formula_full": "B2 Au1",
"formula_reduced": "B2Au",
"formula_anonymous": "AB2",
"energy": -14.62672054,
"energy_per_atom": -4.875573513333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.62672054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000762,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.231000Z",
"spacegroup": 191
},
{
"id": "mp-1217008",
"created_at": "2022-09-04T14:45:09.636737Z",
"structure_string": "Ti1 Al1\n1.0\n1.433631 -2.483122 0.000000\n1.433631 2.483122 0.000000\n0.000000 0.000000 4.678083\nTi Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.500000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.7316341862655658,
"density_atomic": 0.060047735767777,
"volume": 33.3068345446798,
"volume_molar": 10.028922294904614,
"formula_full": "Ti1 Al1",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy": -12.14403829,
"energy_per_atom": -6.072019145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.14403829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.136921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.929000Z",
"spacegroup": 187
},
{
"id": "mp-1009894",
"created_at": "2022-09-04T14:45:33.091496Z",
"structure_string": "Zr1 C1\n1.0\n0.000000 2.553076 2.553076\n2.553076 0.000000 2.553076\n2.553076 2.553076 0.000000\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"C"
],
"chemical_system": "C-Zr",
"density": 5.150549585961192,
"density_atomic": 0.06009090859708401,
"volume": 33.28290496338164,
"volume_molar": 10.021716929559345,
"formula_full": "Zr1 C1",
"formula_reduced": "ZrC",
"formula_anonymous": "AB",
"energy": -18.15793568,
"energy_per_atom": -9.07896784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.15793568,
"band_gap": 0.4780999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.248000Z",
"spacegroup": 216
},
{
"id": "mp-1229012",
"created_at": "2022-09-04T14:43:58.753980Z",
"structure_string": "Ag1 Pd1\n1.0\n4.733684 -1.435646 0.000000\n4.733684 1.435646 0.000000\n4.298277 0.000000 2.448196\nAg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Pd"
],
"chemical_system": "Ag-Pd",
"density": 10.69361505301019,
"density_atomic": 0.06010452755190154,
"volume": 33.27536346197809,
"volume_molar": 10.019446130409648,
"formula_full": "Ag1 Pd1",
"formula_reduced": "AgPd",
"formula_anonymous": "AB",
"energy": -8.13020257,
"energy_per_atom": -4.065101285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.13020257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.928000Z",
"spacegroup": 166
},
{
"id": "mp-1183222",
"created_at": "2022-09-04T14:41:53.473145Z",
"structure_string": "Ag1 Pd1\n1.0\n1.429520 -2.476001 0.000000\n1.429520 2.476001 0.000000\n0.000000 0.000000 4.700114\nAg Pd\n1 1\ndirect\n0.000000 0.000000 0.500000 Ag\n0.666667 0.333333 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Pd"
],
"chemical_system": "Ag-Pd",
"density": 10.694682977225131,
"density_atomic": 0.06011052992622324,
"volume": 33.272040729880494,
"volume_molar": 10.018445632389673,
"formula_full": "Ag1 Pd1",
"formula_reduced": "AgPd",
"formula_anonymous": "AB",
"energy": -8.10259649,
"energy_per_atom": -4.051298245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.10259649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006883,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.877000Z",
"spacegroup": 187
},
{
"id": "mp-30867",
"created_at": "2022-09-04T14:41:23.717004Z",
"structure_string": "Sc1 Ru1\n1.0\n3.214795 0.000000 0.000000\n0.000000 3.214795 0.000000\n0.000000 0.000000 3.214795\nSc Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Ru"
],
"chemical_system": "Ru-Sc",
"density": 7.298257330709142,
"density_atomic": 0.060196347841910275,
"volume": 33.22460700194751,
"volume_molar": 10.004163003070476,
"formula_full": "Sc1 Ru1",
"formula_reduced": "ScRu",
"formula_anonymous": "AB",
"energy": -16.69301363,
"energy_per_atom": -8.346506815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.69301363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004422,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.069000Z",
"spacegroup": 221
},
{
"id": "mp-8001",
"created_at": "2022-09-04T14:39:44.852683Z",
"structure_string": "Li1 Al1 O2\n1.0\n4.865056 -1.414039 0.000000\n4.865056 1.414039 0.000000\n4.454063 0.000000 2.414457\nLi Al O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Al\n0.238118 0.238118 0.238118 O\n0.761882 0.761882 0.761882 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"O"
],
"chemical_system": "Al-Li-O",
"density": 3.2951592841207544,
"density_atomic": 0.12040964861386262,
"volume": 33.219929183810315,
"volume_molar": 5.001377239553441,
"formula_full": "Li1 Al1 O2",
"formula_reduced": "LiAlO2",
"formula_anonymous": "ABC2",
"energy": -27.8189222,
"energy_per_atom": -6.95473055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.4449222,
"band_gap": 5.884900000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.113000Z",
"spacegroup": 166
},
{
"id": "mp-11344",
"created_at": "2022-09-04T14:46:53.552157Z",
"structure_string": "Pr1 O1\n1.0\n0.000000 2.551148 2.551148\n2.551148 0.000000 2.551148\n2.551148 2.551148 0.000000\nPr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"O"
],
"chemical_system": "O-Pr",
"density": 7.846113690977709,
"density_atomic": 0.060227250569505494,
"volume": 33.20755938695711,
"volume_molar": 9.99902984621575,
"formula_full": "Pr1 O1",
"formula_reduced": "PrO",
"formula_anonymous": "AB",
"energy": -15.82146065,
"energy_per_atom": -7.910730325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13446065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00063,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.018000Z",
"spacegroup": 225
},
{
"id": "mp-1183209",
"created_at": "2022-09-04T14:46:16.794880Z",
"structure_string": "Ag1 Pt1\n1.0\n1.413129 -2.447611 0.000000\n1.413129 2.447611 0.000000\n0.000000 0.000000 4.800229\nAg Pt\n1 1\ndirect\n0.333333 0.666667 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Pt"
],
"chemical_system": "Ag-Pt",
"density": 15.149805275056655,
"density_atomic": 0.06023013523883327,
"volume": 33.20596894012125,
"volume_molar": 9.99855095147991,
"formula_full": "Ag1 Pt1",
"formula_reduced": "AgPt",
"formula_anonymous": "AB",
"energy": -8.94874327,
"energy_per_atom": -4.474371635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.94874327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002605,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.956000Z",
"spacegroup": 187
},
{
"id": "mp-634965",
"created_at": "2022-09-04T14:48:17.686378Z",
"structure_string": "Nb1 O1\n1.0\n2.921706 0.000000 0.000000\n0.000000 2.921706 0.000000\n0.000000 0.000000 3.886765\nNb O\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 5.450529809536891,
"density_atomic": 0.060279367616577144,
"volume": 33.17884840334638,
"volume_molar": 9.990384766982658,
"formula_full": "Nb1 O1",
"formula_reduced": "NbO",
"formula_anonymous": "AB",
"energy": -17.976576090000002,
"energy_per_atom": -8.988288045000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.28957609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.131000Z",
"spacegroup": 123
}
]
}