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=energy&page=10223",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10221",
"results": [
{
"id": "mp-16481",
"created_at": "2022-09-04T14:40:16.457650Z",
"structure_string": "Ti2 Al2 Au2\n1.0\n2.230280 -3.862959 0.000000\n2.230280 3.862959 0.000000\n0.000000 0.000000 5.767995\nTi Al Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ti",
"density": 9.08277016997867,
"density_atomic": 0.06036940436041059,
"volume": 99.38809341532473,
"volume_molar": 9.975484806918578,
"formula_full": "Ti2 Al2 Au2",
"formula_reduced": "TiAlAu",
"formula_anonymous": "ABC",
"energy": -32.81616848,
"energy_per_atom": -5.469361413333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.81616848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9172147,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.037000Z",
"spacegroup": 194
},
{
"id": "mp-1408926",
"created_at": "2022-09-04T14:44:57.877090Z",
"structure_string": "Co2 O4\n1.0\n1.522767 -2.637510 0.000000\n1.522767 2.637510 0.000000\n0.000000 0.000000 10.455227\nCo O\n2 4\ndirect\n0.666667 0.333333 0.750000 Co\n0.333333 0.666667 0.250000 Co\n0.333333 0.666667 0.399514 O\n0.666667 0.333333 0.899514 O\n0.333333 0.666667 0.100486 O\n0.666667 0.333333 0.600486 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 3.5958765935691974,
"density_atomic": 0.07144308780274691,
"volume": 83.98293221264305,
"volume_molar": 8.429283987034578,
"formula_full": "Co2 O4",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -32.81416749,
"energy_per_atom": -5.469027915000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.79016749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.961000Z",
"spacegroup": 194
},
{
"id": "mp-20766",
"created_at": "2022-09-04T14:48:26.174672Z",
"structure_string": "Ce2 Cu2 Ge2\n1.0\n2.137997 -3.703120 0.000000\n2.137997 3.703120 0.000000\n0.000000 0.000000 7.811989\nCe Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Ge"
],
"chemical_system": "Ce-Cu-Ge",
"density": 7.418167337162982,
"density_atomic": 0.048504804056142894,
"volume": 123.69908747709145,
"volume_molar": 12.415555277843302,
"formula_full": "Ce2 Cu2 Ge2",
"formula_reduced": "CeCuGe",
"formula_anonymous": "ABC",
"energy": -32.81356426,
"energy_per_atom": -5.468927376666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.81356426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9780322,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:19.030000Z",
"spacegroup": 194
},
{
"id": "mp-1027741",
"created_at": "2022-09-04T14:41:55.018950Z",
"structure_string": "La1 Mg14 Co1\n1.0\n6.485234 0.000000 0.000000\n-3.242617 5.616377 0.000000\n-0.000000 -0.000000 10.186691\nLa Mg Co\n1 14 1\ndirect\n0.166667 0.333333 0.625000 La\n0.160800 0.830399 0.125000 Mg\n0.179500 0.839750 0.625000 Mg\n0.669601 0.339200 0.125000 Mg\n0.660250 0.320500 0.625000 Mg\n0.669601 0.830399 0.125000 Mg\n0.660250 0.839750 0.625000 Mg\n0.329467 0.170533 0.355426 Mg\n0.329467 0.170533 0.894574 Mg\n0.329467 0.658934 0.355426 Mg\n0.329467 0.658934 0.894574 Mg\n0.841066 0.170533 0.355426 Mg\n0.841066 0.170533 0.894574 Mg\n0.833333 0.666667 0.383654 Mg\n0.833333 0.666667 0.866346 Mg\n0.166667 0.333333 0.125000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Co"
],
"chemical_system": "Co-La-Mg",
"density": 2.4082637424178857,
"density_atomic": 0.04312260089417229,
"volume": 371.0351339722249,
"volume_molar": 13.965161273038728,
"formula_full": "La1 Mg14 Co1",
"formula_reduced": "LaMg14Co",
"formula_anonymous": "ABC14",
"energy": -32.81158436,
"energy_per_atom": -2.0507240225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.81158436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6168695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.463000Z",
"spacegroup": 187
},
{
"id": "mp-1216636",
"created_at": "2022-09-04T14:43:05.925030Z",
"structure_string": "Tl2 Cu2 Sn1 Te4\n1.0\n0.000000 5.985040 6.153692\n3.597278 0.000000 6.153692\n3.597278 5.985040 0.000000\nTl Cu Sn Te\n2 2 1 4\ndirect\n0.499167 0.000833 0.000833 Tl\n0.999167 0.500833 0.500833 Tl\n0.514922 0.485078 0.712617 Cu\n0.287383 0.712617 0.485078 Cu\n0.993773 0.006227 0.006227 Sn\n0.928413 0.071587 0.437704 Te\n0.562296 0.437704 0.071587 Te\n0.429938 0.911058 0.570062 Te\n0.088942 0.570062 0.911058 Te\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tl",
"Cu",
"Sn",
"Te"
],
"chemical_system": "Cu-Sn-Te-Tl",
"density": 7.300565590025057,
"density_atomic": 0.03396531911962524,
"volume": 264.97616490226875,
"volume_molar": 17.73026403429371,
"formula_full": "Tl2 Cu2 Sn1 Te4",
"formula_reduced": "Tl2Cu2SnTe4",
"formula_anonymous": "AB2C2D4",
"energy": -32.81011906,
"energy_per_atom": -3.6455687844444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.12211906,
"band_gap": 0.1788999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.476000Z",
"spacegroup": 42
},
{
"id": "mp-1112623",
"created_at": "2022-09-04T14:42:46.071257Z",
"structure_string": "Cs2 K1 Ga1 Br6\n1.0\n0.000000 5.758435 5.758435\n5.758435 0.000000 5.758435\n5.758435 5.758435 0.000000\nCs K Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.776258 0.223742 0.223742 Br\n0.223742 0.223742 0.776258 Br\n0.223742 0.776258 0.776258 Br\n0.223742 0.776258 0.223742 Br\n0.776258 0.223742 0.776258 Br\n0.776258 0.776258 0.223742 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Ga",
"Br"
],
"chemical_system": "Br-Cs-Ga-K",
"density": 3.713574548190115,
"density_atomic": 0.026185242329695355,
"volume": 381.89449897354996,
"volume_molar": 22.998224282883935,
"formula_full": "Cs2 K1 Ga1 Br6",
"formula_reduced": "Cs2KGaBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.80937287,
"energy_per_atom": -3.2809372869999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.605372870000004,
"band_gap": 2.1255,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.185000Z",
"spacegroup": 225
},
{
"id": "mp-1099079",
"created_at": "2022-09-04T14:42:41.695012Z",
"structure_string": "Ce1 Mg14 Sn1\n1.0\n3.241870 -5.699074 0.000000\n3.241870 5.699074 0.000000\n0.000000 0.000000 10.436771\nCe Mg Sn\n1 14 1\ndirect\n0.332598 0.667402 0.500000 Ce\n0.833051 0.166949 0.000000 Mg\n0.333225 0.666775 0.000000 Mg\n0.328836 0.163383 0.500000 Mg\n0.333707 0.167051 0.000000 Mg\n0.836617 0.671164 0.500000 Mg\n0.832949 0.666293 0.000000 Mg\n0.166665 0.331197 0.245011 Mg\n0.166665 0.331197 0.754989 Mg\n0.668803 0.833335 0.245011 Mg\n0.668803 0.833335 0.754989 Mg\n0.665846 0.334154 0.252445 Mg\n0.665846 0.334154 0.747555 Mg\n0.165323 0.834677 0.245230 Mg\n0.165323 0.834677 0.754770 Mg\n0.835752 0.164248 0.500000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Sn"
],
"chemical_system": "Ce-Mg-Sn",
"density": 2.5795828186459007,
"density_atomic": 0.04148813770435882,
"volume": 385.6524029594852,
"volume_molar": 14.515331594089128,
"formula_full": "Ce1 Mg14 Sn1",
"formula_reduced": "CeMg14Sn",
"formula_anonymous": "ABC14",
"energy": -32.80822521,
"energy_per_atom": -2.050514075625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.80822521,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5256786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.136000Z",
"spacegroup": 38
},
{
"id": "mp-12049",
"created_at": "2022-09-04T14:41:54.763292Z",
"structure_string": "Nd4 Sb2\n1.0\n-2.291659 2.291659 8.887438\n2.291659 -2.291659 8.887438\n2.291659 2.291659 -8.887438\nNd Sb\n4 2\ndirect\n0.179019 0.179019 0.000000 Nd\n0.820981 0.820981 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.638377 0.638377 0.000000 Sb\n0.361623 0.361623 0.000000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Sb"
],
"chemical_system": "Nd-Sb",
"density": 7.297679163360577,
"density_atomic": 0.032137692074665665,
"volume": 186.69666714274845,
"volume_molar": 18.738560149274967,
"formula_full": "Nd4 Sb2",
"formula_reduced": "Nd2Sb",
"formula_anonymous": "AB2",
"energy": -32.80800254,
"energy_per_atom": -5.468000423333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.42400254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006865,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.349000Z",
"spacegroup": 139
},
{
"id": "mp-1112376",
"created_at": "2022-09-04T14:41:24.926090Z",
"structure_string": "Cs3 As1 Br6\n1.0\n0.000000 6.074751 6.074751\n6.074751 0.000000 6.074751\n6.074751 6.074751 0.000000\nCs As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 As\n0.780159 0.219841 0.219841 Br\n0.219841 0.219841 0.780159 Br\n0.219841 0.780159 0.780159 Br\n0.219841 0.780159 0.219841 Br\n0.780159 0.219841 0.780159 Br\n0.780159 0.780159 0.219841 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"As",
"Br"
],
"chemical_system": "As-Br-Cs",
"density": 3.529838144861019,
"density_atomic": 0.022304092665312077,
"volume": 448.34820900615557,
"volume_molar": 27.000160241289684,
"formula_full": "Cs3 As1 Br6",
"formula_reduced": "Cs3AsBr6",
"formula_anonymous": "AB3C6",
"energy": -32.80708456,
"energy_per_atom": -3.280708456,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.60308456,
"band_gap": 2.9211,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0022793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.598000Z",
"spacegroup": 225
},
{
"id": "mp-5529",
"created_at": "2022-09-04T14:42:01.520160Z",
"structure_string": "Mn1 Fe2 Si1\n1.0\n0.000000 2.796274 2.796274\n2.796274 0.000000 2.796274\n2.796274 2.796274 0.000000\nMn Fe Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-Mn-Si",
"density": 7.393942888166583,
"density_atomic": 0.09147255751381407,
"volume": 43.728962092220115,
"volume_molar": 6.5835491252013405,
"formula_full": "Mn1 Fe2 Si1",
"formula_reduced": "MnFe2Si",
"formula_anonymous": "ABC2",
"energy": -32.80413342,
"energy_per_atom": -8.201033355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.87513342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0009148,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.102000Z",
"spacegroup": 225
},
{
"id": "mp-976598",
"created_at": "2022-09-04T14:40:36.150839Z",
"structure_string": "Li1 Hf2 Ir1\n1.0\n0.000000 3.272295 3.272295\n3.272295 0.000000 3.272295\n3.272295 3.272295 0.000000\nLi Hf Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir-Li",
"density": 13.177842913996233,
"density_atomic": 0.05707851286456138,
"volume": 70.07891059620616,
"volume_molar": 10.550626597945225,
"formula_full": "Li1 Hf2 Ir1",
"formula_reduced": "LiHf2Ir",
"formula_anonymous": "ABC2",
"energy": -32.80264509,
"energy_per_atom": -8.2006612725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.80264509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.552000Z",
"spacegroup": 225
},
{
"id": "mp-1224691",
"created_at": "2022-09-04T14:44:58.069141Z",
"structure_string": "Fe2 Sb1 Te3\n1.0\n3.743081 0.000000 0.000000\n0.000000 5.376070 0.000000\n0.000000 0.081298 6.288151\nFe Sb Te\n2 1 3\ndirect\n0.500000 0.504273 0.501461 Fe\n0.000000 0.996909 0.995657 Fe\n0.500000 0.283259 0.145653 Sb\n0.500000 0.714423 0.860992 Te\n0.000000 0.778042 0.354872 Te\n0.000000 0.223094 0.641364 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Sb",
"Te"
],
"chemical_system": "Fe-Sb-Te",
"density": 8.087027640803612,
"density_atomic": 0.0474170081620383,
"volume": 126.5368742687472,
"volume_molar": 12.700381136280296,
"formula_full": "Fe2 Sb1 Te3",
"formula_reduced": "Fe2SbTe3",
"formula_anonymous": "AB2C3",
"energy": -32.80197796,
"energy_per_atom": -5.466996326666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.34397796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.278422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.917000Z",
"spacegroup": 6
}
]
}