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=id&page=127",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=125",
"results": [
{
"id": "mp-1018082",
"created_at": "2022-09-04T14:45:18.834459Z",
"structure_string": "Cr1 Co2 Sb1\n1.0\n0.000000 3.004968 3.004968\n3.004968 0.000000 3.004968\n3.004968 3.004968 0.000000\nCr Co Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Sb"
],
"chemical_system": "Co-Cr-Sb",
"density": 8.923198640813354,
"density_atomic": 0.07370728953447861,
"volume": 54.268716503662645,
"volume_molar": 8.170346241239788,
"formula_full": "Cr1 Co2 Sb1",
"formula_reduced": "CrCo2Sb",
"formula_anonymous": "ABC2",
"energy": -28.03227872,
"energy_per_atom": -7.00806968,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.84027872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9944516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.604000Z",
"spacegroup": 225
},
{
"id": "mp-1018083",
"created_at": "2022-09-04T14:46:18.057287Z",
"structure_string": "Cr1 Cd1 Te2\n1.0\n4.523310 0.000000 0.000000\n0.000000 4.523310 0.000000\n0.000000 0.000000 6.506696\nCr Cd Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.770484 Te\n0.500000 0.000000 0.229516 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"Te"
],
"chemical_system": "Cd-Cr-Te",
"density": 5.2338190520093,
"density_atomic": 0.03004600737638805,
"volume": 133.1291692068025,
"volume_molar": 20.04306490563055,
"formula_full": "Cr1 Cd1 Te2",
"formula_reduced": "CrCdTe2",
"formula_anonymous": "ABC2",
"energy": -18.24001722,
"energy_per_atom": -4.560004305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.39601722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.875000Z",
"spacegroup": 115
},
{
"id": "mp-1018084",
"created_at": "2022-09-04T14:44:59.828746Z",
"structure_string": "Cr1 Ag1 Te2\n1.0\n7.365965 -2.054504 0.000000\n7.365965 2.054504 0.000000\n6.792926 0.000000 3.512062\nCr Ag Te\n1 1 2\ndirect\n0.001248 0.001248 0.001248 Cr\n0.856325 0.856325 0.856325 Ag\n0.731671 0.731671 0.731671 Te\n0.266755 0.266755 0.266755 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"Te"
],
"chemical_system": "Ag-Cr-Te",
"density": 6.483890421398398,
"density_atomic": 0.03762973669724969,
"volume": 106.29891014603763,
"volume_molar": 16.003674988350767,
"formula_full": "Cr1 Ag1 Te2",
"formula_reduced": "CrAgTe2",
"formula_anonymous": "ABC2",
"energy": -20.161773930000003,
"energy_per_atom": -5.040443482500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.31777393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9990648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.863000Z",
"spacegroup": 160
},
{
"id": "mp-1018085",
"created_at": "2022-09-04T14:48:14.294612Z",
"structure_string": "Co1 Sn1 Rh2\n1.0\n-2.042369 2.042369 3.582879\n2.042369 -2.042369 3.582879\n2.042369 2.042369 -3.582879\nCo Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Sn\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Sn",
"Rh"
],
"chemical_system": "Co-Rh-Sn",
"density": 10.651285801061274,
"density_atomic": 0.0669112955106901,
"volume": 59.78063897090348,
"volume_molar": 9.000185565138057,
"formula_full": "Co1 Sn1 Rh2",
"formula_reduced": "CoSnRh2",
"formula_anonymous": "ABC2",
"energy": -26.69506133,
"energy_per_atom": -6.6737653325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.69506133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1972025,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:45.634000Z",
"spacegroup": 139
},
{
"id": "mp-1018086",
"created_at": "2022-09-04T14:45:30.269925Z",
"structure_string": "Ce2 Pd2\n1.0\n1.915363 -5.530470 0.000000\n1.915363 5.530470 0.000000\n0.000000 0.000000 4.516241\nCe Pd\n2 2\ndirect\n0.863085 0.136915 0.750000 Ce\n0.136915 0.863085 0.250000 Ce\n0.589547 0.410453 0.750000 Pd\n0.410453 0.589547 0.250000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Pd"
],
"chemical_system": "Ce-Pd",
"density": 8.55734810768853,
"density_atomic": 0.04180610933464391,
"volume": 95.67979569639783,
"volume_molar": 14.40492993929375,
"formula_full": "Ce2 Pd2",
"formula_reduced": "CePd",
"formula_anonymous": "AB",
"energy": -24.95651401,
"energy_per_atom": -6.2391285025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.95651401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6702364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.767000Z",
"spacegroup": 63
},
{
"id": "mp-1018087",
"created_at": "2022-09-04T14:40:13.736864Z",
"structure_string": "Ce2 Au2\n1.0\n1.941871 -5.728323 0.000000\n1.941871 5.728323 0.000000\n0.000000 0.000000 4.721145\nCe Au\n2 2\ndirect\n0.859825 0.140175 0.750000 Ce\n0.140175 0.859825 0.250000 Ce\n0.584581 0.415419 0.750000 Au\n0.415419 0.584581 0.250000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Au"
],
"chemical_system": "Au-Ce",
"density": 10.658354948737612,
"density_atomic": 0.03808331827061744,
"volume": 105.03286429969874,
"volume_molar": 15.813067330969117,
"formula_full": "Ce2 Au2",
"formula_reduced": "CeAu",
"formula_anonymous": "AB",
"energy": -20.97860106,
"energy_per_atom": -5.244650265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.97860106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9389744,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.752000Z",
"spacegroup": 63
},
{
"id": "mp-1018088",
"created_at": "2022-09-04T14:45:28.695608Z",
"structure_string": "C4\n1.0\n-2.061874 2.061874 2.061874\n2.061874 -2.061874 2.061874\n2.061874 2.061874 -2.061874\nC\n4\ndirect\n0.500000 0.000000 0.250000 C\n0.250000 0.500000 0.000000 C\n0.000000 0.250000 0.500000 C\n0.250000 0.250000 0.250000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2752600958372424,
"density_atomic": 0.11408108243048332,
"volume": 35.06278091669974,
"volume_molar": 5.278825052935192,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -31.69035403,
"energy_per_atom": -7.9225885075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.69035403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0256562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.493000Z",
"spacegroup": 214
},
{
"id": "mp-1018089",
"created_at": "2022-09-04T14:41:15.263485Z",
"structure_string": "Ca1 Zn1 Se2\n1.0\n4.286203 0.000000 0.000000\n0.000000 4.286203 0.000000\n0.000000 0.000000 6.383764\nCa Zn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.711034 Se\n0.500000 0.000000 0.288966 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Se"
],
"chemical_system": "Ca-Se-Zn",
"density": 3.7295300812909122,
"density_atomic": 0.03410654253827685,
"volume": 117.27955114508919,
"volume_molar": 17.656849131633656,
"formula_full": "Ca1 Zn1 Se2",
"formula_reduced": "CaZnSe2",
"formula_anonymous": "ABC2",
"energy": -15.86274694,
"energy_per_atom": -3.965686735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.91874694,
"band_gap": 2.0547,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.959000Z",
"spacegroup": 115
},
{
"id": "mp-1018090",
"created_at": "2022-09-04T14:44:07.979639Z",
"structure_string": "Ca1 Ga1 Si1 H1\n1.0\n2.045550 -3.542997 0.000000\n2.045550 3.542997 0.000000\n0.000000 0.000000 4.762800\nCa Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.556800 Ga\n0.333333 0.666667 0.433700 Si\n0.666667 0.333333 0.925000 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ca",
"Ga",
"Si",
"H"
],
"chemical_system": "Ca-Ga-H-Si",
"density": 3.3408789011918723,
"density_atomic": 0.05794110408463971,
"volume": 69.03561924116677,
"volume_molar": 10.393555413101767,
"formula_full": "Ca1 Ga1 Si1 H1",
"formula_reduced": "CaGaSiH",
"formula_anonymous": "ABCD",
"energy": -15.44247458,
"energy_per_atom": -3.860618645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.33447458,
"band_gap": 0.3416000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.269000Z",
"spacegroup": 156
},
{
"id": "mp-1018091",
"created_at": "2022-09-04T14:39:36.607541Z",
"structure_string": "Ca1 Ga1 Sn1 H1\n1.0\n2.192600 -3.797695 0.000000\n2.192600 3.797695 0.000000\n0.000000 0.000000 4.967900\nCa Ga Sn H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.616400 Ga\n0.333333 0.666667 0.446500 Sn\n0.666667 0.333333 0.964000 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ca",
"Ga",
"Sn",
"H"
],
"chemical_system": "Ca-Ga-H-Sn",
"density": 4.6066508108286,
"density_atomic": 0.04834790475167752,
"volume": 82.7336783371406,
"volume_molar": 12.455846413470585,
"formula_full": "Ca1 Ga1 Sn1 H1",
"formula_reduced": "CaGaSnH",
"formula_anonymous": "ABCD",
"energy": -14.08250881,
"energy_per_atom": -3.5206272025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.90350881,
"band_gap": 0.2478999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.784000Z",
"spacegroup": 156
},
{
"id": "mp-1018093",
"created_at": "2022-09-04T14:41:18.029873Z",
"structure_string": "Ca1 Ga1 Ge1 H1\n1.0\n2.076455 -3.596525 0.000000\n2.076455 3.596525 0.000000\n0.000000 0.000000 4.798821\nCa Ga Ge H\n1 1 1 1\ndirect\n0.333333 0.666667 0.000012 Ca\n0.000000 0.000000 0.565106 Ga\n0.666667 0.333333 0.424380 Ge\n0.000000 0.000000 0.929301 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ca",
"Ga",
"Ge",
"H"
],
"chemical_system": "Ca-Ga-Ge-H",
"density": 4.250051088263053,
"density_atomic": 0.055807149170894466,
"volume": 71.6754046645721,
"volume_molar": 10.790984398000344,
"formula_full": "Ca1 Ga1 Ge1 H1",
"formula_reduced": "CaGaGeH",
"formula_anonymous": "ABCD",
"energy": -14.93040933,
"energy_per_atom": -3.7326023325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.75140933,
"band_gap": 0.5269000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.389000Z",
"spacegroup": 156
},
{
"id": "mp-1018094",
"created_at": "2022-09-04T14:44:20.284554Z",
"structure_string": "Ba1 Ga1 Sn1 H1\n1.0\n2.304672 -3.991809 0.000000\n2.304672 3.991809 0.000000\n0.000000 0.000000 5.398081\nBa Ga Sn H\n1 1 1 1\ndirect\n0.333333 0.666667 0.000150 Ba\n0.000000 0.000000 0.586706 Ga\n0.666667 0.333333 0.459253 Sn\n0.000000 0.000000 0.910192 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Sn",
"H"
],
"chemical_system": "Ba-Ga-H-Sn",
"density": 5.4631140430891625,
"density_atomic": 0.04027279024592811,
"volume": 99.32264378936175,
"volume_molar": 14.953373538871906,
"formula_full": "Ba1 Ga1 Sn1 H1",
"formula_reduced": "BaGaSnH",
"formula_anonymous": "ABCD",
"energy": -14.5174015,
"energy_per_atom": -3.629350375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.3384015,
"band_gap": 0.2042999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.37e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.937000Z",
"spacegroup": 156
}
]
}