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=formula_full&page=1741",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=1739",
"results": [
{
"id": "mp-1226492",
"created_at": "2022-09-04T14:42:24.677247Z",
"structure_string": "Ce1 Pu1\n1.0\n-2.330603 -2.330603 0.000000\n0.000000 2.330603 -2.330603\n2.269599 -4.600203 -2.269599\nCe Pu\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Pu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Pu"
],
"chemical_system": "Ce-Pu",
"density": 12.848639970916704,
"density_atomic": 0.040287995556635134,
"volume": 49.64257894609043,
"volume_molar": 14.94772990513845,
"formula_full": "Ce1 Pu1",
"formula_reduced": "CePu",
"formula_anonymous": "AB",
"energy": -19.99627923,
"energy_per_atom": -9.998139615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.99627923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6555008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.740000Z",
"spacegroup": 166
},
{
"id": "mp-1226700",
"created_at": "2022-09-04T14:45:56.404004Z",
"structure_string": "Ce1 Pu1 Co4\n1.0\n0.000000 3.473947 3.473947\n3.473947 0.000000 3.473947\n3.473947 3.473947 0.000000\nCe Pu Co\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Pu\n0.626890 0.626890 0.119329 Co\n0.626890 0.119329 0.626890 Co\n0.119329 0.626890 0.626890 Co\n0.626890 0.626890 0.626890 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Pu",
"Co"
],
"chemical_system": "Ce-Co-Pu",
"density": 12.2753896742225,
"density_atomic": 0.0715569283149013,
"volume": 83.84932306758249,
"volume_molar": 8.415873769061612,
"formula_full": "Ce1 Pu1 Co4",
"formula_reduced": "CePuCo4",
"formula_anonymous": "ABC4",
"energy": -49.20565866,
"energy_per_atom": -8.200943109999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.20565866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6353197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.461000Z",
"spacegroup": 216
},
{
"id": "mp-1226594",
"created_at": "2022-09-04T14:40:37.329124Z",
"structure_string": "Ce1 Pu1 Fe4\n1.0\n0.000000 3.494359 3.494359\n3.494359 0.000000 3.494359\n3.494359 3.494359 0.000000\nCe Pu Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Pu\n0.625936 0.625936 0.122191 Fe\n0.625936 0.122191 0.625936 Fe\n0.122191 0.625936 0.625936 Fe\n0.625936 0.625936 0.625936 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Pu",
"Fe"
],
"chemical_system": "Ce-Fe-Pu",
"density": 11.821156346380043,
"density_atomic": 0.07031025799854079,
"volume": 85.33605437949784,
"volume_molar": 8.565095522939172,
"formula_full": "Ce1 Pu1 Fe4",
"formula_reduced": "CePuFe4",
"formula_anonymous": "ABC4",
"energy": -54.60006917,
"energy_per_atom": -9.100011528333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.60006917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3717107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.932000Z",
"spacegroup": 216
},
{
"id": "mp-1183759",
"created_at": "2022-09-04T14:40:40.100680Z",
"structure_string": "Ce1 Pu1 O3\n1.0\n4.365297 0.000000 0.000000\n0.000000 4.365297 0.000000\n0.000000 0.000000 4.365297\nCe Pu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Pu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Pu",
"O"
],
"chemical_system": "Ce-O-Pu",
"density": 8.625936261526137,
"density_atomic": 0.06010749284755072,
"volume": 83.18430470359806,
"volume_molar": 10.018951838955951,
"formula_full": "Ce1 Pu1 O3",
"formula_reduced": "CePuO3",
"formula_anonymous": "ABC3",
"energy": -50.45807353,
"energy_per_atom": -10.091614706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.39707353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0018099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.924000Z",
"spacegroup": 221
},
{
"id": "mp-1227015",
"created_at": "2022-09-04T14:43:00.462937Z",
"structure_string": "Ce1 Pu4\n1.0\n13.265170 -1.645319 0.000000\n13.265170 1.645319 0.000000\n13.061096 0.000000 2.842460\nCe Pu\n1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.597426 0.597426 0.597426 Pu\n0.199192 0.199192 0.199192 Pu\n0.800808 0.800808 0.800808 Pu\n0.402574 0.402574 0.402574 Pu\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ce",
"Pu"
],
"chemical_system": "Ce-Pu",
"density": 14.937266894759448,
"density_atomic": 0.04029792774273275,
"volume": 124.07585898512339,
"volume_molar": 14.944045754526476,
"formula_full": "Ce1 Pu4",
"formula_reduced": "CePu4",
"formula_anonymous": "AB4",
"energy": -59.47281216,
"energy_per_atom": -11.894562431999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.47281216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.3815887,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.236000Z",
"spacegroup": 166
},
{
"id": "mp-27861",
"created_at": "2022-09-04T14:39:20.590337Z",
"structure_string": "Ce1 Re4 Si2\n1.0\n2.076008 -7.000274 0.000000\n2.076008 7.000274 0.000000\n0.000000 0.000000 4.084690\nCe Re Si\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.186045 0.813955 0.500000 Re\n0.305349 0.694651 0.000000 Re\n0.813955 0.186045 0.500000 Re\n0.694651 0.305349 0.000000 Re\n0.412942 0.587058 0.500000 Si\n0.587058 0.412942 0.500000 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ce",
"Re",
"Si"
],
"chemical_system": "Ce-Re-Si",
"density": 13.163113716316177,
"density_atomic": 0.05896100536794734,
"volume": 118.7225346025964,
"volume_molar": 10.213768782297231,
"formula_full": "Ce1 Re4 Si2",
"formula_reduced": "Ce(Re2Si)2",
"formula_anonymous": "AB2C4",
"energy": -69.69134603,
"energy_per_atom": -9.955906575714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.83334603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020332,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.361000Z",
"spacegroup": 65
},
{
"id": "mp-1518",
"created_at": "2022-09-04T14:40:21.449460Z",
"structure_string": "Ce1 Rh3\n1.0\n4.070753 0.000000 0.000000\n0.000000 4.070753 0.000000\n0.000000 0.000000 4.070753\nCe Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Rh"
],
"chemical_system": "Ce-Rh",
"density": 11.04864804493288,
"density_atomic": 0.05929741162440618,
"volume": 67.45657003270684,
"volume_molar": 10.15582399809396,
"formula_full": "Ce1 Rh3",
"formula_reduced": "CeRh3",
"formula_anonymous": "AB3",
"energy": -30.56406148,
"energy_per_atom": -7.64101537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.56406148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.534000Z",
"spacegroup": 221
},
{
"id": "mp-22519",
"created_at": "2022-09-04T14:40:37.926882Z",
"structure_string": "Ce1 Rh3 C1\n1.0\n4.228548 0.000000 0.000000\n0.000000 4.228548 0.000000\n0.000000 0.000000 4.228548\nCe Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Rh",
"C"
],
"chemical_system": "C-Ce-Rh",
"density": 10.121117962886379,
"density_atomic": 0.06612964783046546,
"volume": 75.6090522789165,
"volume_molar": 9.106567111076679,
"formula_full": "Ce1 Rh3 C1",
"formula_reduced": "CeRh3C",
"formula_anonymous": "ABC3",
"energy": -39.06407369,
"energy_per_atom": -7.812814738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.06407369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7954981,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.719000Z",
"spacegroup": 221
},
{
"id": "mp-1206127",
"created_at": "2022-09-04T14:45:22.499774Z",
"structure_string": "Ce1 Ru3 C1\n1.0\n4.185891 0.000000 0.000000\n0.000000 4.185891 0.000000\n0.000000 0.000000 4.185891\nCe Ru C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ru",
"C"
],
"chemical_system": "C-Ce-Ru",
"density": 10.309034846745215,
"density_atomic": 0.06817203507678943,
"volume": 73.34385711630829,
"volume_molar": 8.833740628714724,
"formula_full": "Ce1 Ru3 C1",
"formula_reduced": "CeRu3C",
"formula_anonymous": "ABC3",
"energy": -44.19338227,
"energy_per_atom": -8.838676454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.19338227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.291000Z",
"spacegroup": 221
},
{
"id": "mp-1006886",
"created_at": "2022-09-04T14:40:58.259648Z",
"structure_string": "Ce1 S1\n1.0\n3.512501 0.000000 0.000000\n0.000000 3.512501 0.000000\n0.000000 0.000000 3.512501\nCe S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 6.597584383811093,
"density_atomic": 0.04615094795479019,
"volume": 43.33605459110428,
"volume_molar": 13.04879103653371,
"formula_full": "Ce1 S1",
"formula_reduced": "CeS",
"formula_anonymous": "AB",
"energy": -13.91983816,
"energy_per_atom": -6.95991908,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.41683816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6453109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.673000Z",
"spacegroup": 221
},
{
"id": "mp-1096",
"created_at": "2022-09-04T14:41:01.368546Z",
"structure_string": "Ce1 S1\n1.0\n0.000000 2.841290 2.841290\n2.841290 0.000000 2.841290\n2.841290 2.841290 0.000000\nCe S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 6.232433296978239,
"density_atomic": 0.04359666932435553,
"volume": 45.875064104557374,
"volume_molar": 13.813304670583392,
"formula_full": "Ce1 S1",
"formula_reduced": "CeS",
"formula_anonymous": "AB",
"energy": -14.66408828,
"energy_per_atom": -7.33204414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.16108828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1440823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.266000Z",
"spacegroup": 225
},
{
"id": "mp-1183858",
"created_at": "2022-09-04T14:39:47.617322Z",
"structure_string": "Ce1 S3\n1.0\n-1.966317 1.966317 4.937449\n1.966317 -1.966317 4.937449\n1.966317 1.966317 -4.937449\nCe S\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 S\n0.250000 0.750000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 5.138819381869455,
"density_atomic": 0.052382993036343736,
"volume": 76.36066150753868,
"volume_molar": 11.496366303127793,
"formula_full": "Ce1 S3",
"formula_reduced": "CeS3",
"formula_anonymous": "AB3",
"energy": -23.64995756,
"energy_per_atom": -5.91248939,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.14095756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.237000Z",
"spacegroup": 139
}
]
}