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_reduced&page=2",
"previous": null,
"results": [
{
"id": "mp-1183069",
"created_at": "2022-09-04T14:45:32.661699Z",
"structure_string": "Ac3\n1.0\n9.731660 -2.006425 0.000000\n9.731660 2.006425 0.000000\n9.317985 0.000000 3.450521\nAc\n3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.777399 0.777399 0.777399 Ac\n0.222601 0.222601 0.222601 Ac\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.392119917536471,
"density_atomic": 0.02226366847386311,
"volume": 134.74868274839395,
"volume_molar": 27.049184491180398,
"formula_full": "Ac3",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -12.228251020000002,
"energy_per_atom": -4.076083673333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.228251020000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.266000Z",
"spacegroup": 166
},
{
"id": "mp-1183057",
"created_at": "2022-09-04T14:41:15.153496Z",
"structure_string": "Ac3\n1.0\n2.001328 -3.466402 0.000000\n2.001328 3.466402 0.000000\n0.000000 0.000000 9.803856\nAc\n3\ndirect\n0.655046 0.655046 0.000000 Ac\n0.344954 0.000000 0.333333 Ac\n0.000000 0.344954 0.666667 Ac\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.313273945401516,
"density_atomic": 0.02205449598808345,
"volume": 136.02668597010646,
"volume_molar": 27.30572833427661,
"formula_full": "Ac3",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -12.31676763,
"energy_per_atom": -4.10558921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.31676763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0228007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.599000Z",
"spacegroup": 152
},
{
"id": "mp-10018",
"created_at": "2022-09-04T14:42:04.680859Z",
"structure_string": "Ac1\n1.0\n0.000000 2.831128 2.831128\n2.831128 0.000000 2.831128\n2.831128 2.831128 0.000000\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.305512650126095,
"density_atomic": 0.022033905850354526,
"volume": 45.38459984315082,
"volume_molar": 27.331244859172816,
"formula_full": "Ac1",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -4.10076552,
"energy_per_atom": -4.10076552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.10076552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.982000Z",
"spacegroup": 225
},
{
"id": "mp-862690",
"created_at": "2022-09-04T14:41:27.414333Z",
"structure_string": "Ac4\n1.0\n2.010411 -3.482133 0.000000\n2.010411 3.482133 0.000000\n0.000000 0.000000 13.003380\nAc\n4\ndirect\n0.000000 0.000000 0.000000 Ac\n0.333333 0.666667 0.250000 Ac\n0.000000 0.000000 0.500000 Ac\n0.666667 0.333333 0.750000 Ac\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.281680834291894,
"density_atomic": 0.021970681819707145,
"volume": 182.06080415820784,
"volume_molar": 27.409894737988026,
"formula_full": "Ac4",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -16.48470003,
"energy_per_atom": -4.1211750075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.48470003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0293319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.106000Z",
"spacegroup": 194
},
{
"id": "mp-861724",
"created_at": "2022-09-04T14:42:50.735728Z",
"structure_string": "Ac2 Ag1 Ir1\n1.0\n0.000000 3.821489 3.821489\n3.821489 0.000000 3.821489\n3.821489 3.821489 0.000000\nAc Ag Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Ag",
"Ir"
],
"chemical_system": "Ac-Ag-Ir",
"density": 11.218677858662495,
"density_atomic": 0.03583704187765965,
"volume": 111.61635532461591,
"volume_molar": 16.80423507207531,
"formula_full": "Ac2 Ag1 Ir1",
"formula_reduced": "Ac2AgIr",
"formula_anonymous": "ABC2",
"energy": -21.40160326,
"energy_per_atom": -5.350400815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.40160326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.508000Z",
"spacegroup": 225
},
{
"id": "mp-1183076",
"created_at": "2022-09-04T14:46:09.990037Z",
"structure_string": "Ac2 Ag1 Pb1\n1.0\n0.000000 4.091092 4.091092\n4.091092 0.000000 4.091092\n4.091092 4.091092 0.000000\nAc Ag Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Ag",
"Pb"
],
"chemical_system": "Ac-Ag-Pb",
"density": 9.32537313248143,
"density_atomic": 0.029208701991699854,
"volume": 136.94548977687086,
"volume_molar": 20.61762539708643,
"formula_full": "Ac2 Ag1 Pb1",
"formula_reduced": "Ac2AgPb",
"formula_anonymous": "ABC2",
"energy": -16.33615904,
"energy_per_atom": -4.08403976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.33615904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6200471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.090000Z",
"spacegroup": 225
},
{
"id": "mp-1207297",
"created_at": "2022-09-04T14:40:21.555469Z",
"structure_string": "Ac2 Br2 O1\n1.0\n4.612940 0.000000 0.000000\n0.000000 4.612940 0.000000\n0.000000 0.000000 13.991829\nAc Br O\n2 2 1\ndirect\n0.500000 0.500000 0.159831 Ac\n0.500000 0.500000 0.840169 Ac\n0.500000 0.500000 0.638283 Br\n0.500000 0.500000 0.361717 Br\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ac",
"Br",
"O"
],
"chemical_system": "Ac-Br-O",
"density": 3.5125843022531993,
"density_atomic": 0.016793449161477993,
"volume": 297.73514374101035,
"volume_molar": 35.86005889614395,
"formula_full": "Ac2 Br2 O1",
"formula_reduced": "Ac2Br2O",
"formula_anonymous": "AB2C2",
"energy": -23.76456896,
"energy_per_atom": -4.752913791999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.07756896,
"band_gap": 0.2005999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0085426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.664000Z",
"spacegroup": 123
},
{
"id": "mp-1183068",
"created_at": "2022-09-04T14:47:57.594213Z",
"structure_string": "Ac2 Cd1 Ga1\n1.0\n0.000000 4.010801 4.010801\n4.010801 0.000000 4.010801\n4.010801 4.010801 0.000000\nAc Cd Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cd",
"Ga"
],
"chemical_system": "Ac-Cd-Ga",
"density": 8.186049500286272,
"density_atomic": 0.030998212562817123,
"volume": 129.0396983985479,
"volume_molar": 19.427380684600053,
"formula_full": "Ac2 Cd1 Ga1",
"formula_reduced": "Ac2CdGa",
"formula_anonymous": "ABC2",
"energy": -13.6000608,
"energy_per_atom": -3.4000152,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.6000608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.447000Z",
"spacegroup": 225
},
{
"id": "mp-1183063",
"created_at": "2022-09-04T14:39:29.010994Z",
"structure_string": "Ac2 Cd1 Ge1\n1.0\n0.000000 3.980658 3.980658\n3.980658 0.000000 3.980658\n3.980658 3.980658 0.000000\nAc Cd Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cd",
"Ge"
],
"chemical_system": "Ac-Cd-Ge",
"density": 8.41182096739983,
"density_atomic": 0.03170774785180349,
"volume": 126.1521322389501,
"volume_molar": 18.992647437927285,
"formula_full": "Ac2 Cd1 Ge1",
"formula_reduced": "Ac2CdGe",
"formula_anonymous": "ABC2",
"energy": -15.37135124,
"energy_per_atom": -3.84283781,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.37135124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.712000Z",
"spacegroup": 225
},
{
"id": "mp-1183086",
"created_at": "2022-09-04T14:43:12.485195Z",
"structure_string": "Ac2 Cd1 Hg1\n1.0\n0.000000 4.065664 4.065664\n4.065664 0.000000 4.065664\n4.065664 4.065664 0.000000\nAc Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cd",
"Hg"
],
"chemical_system": "Ac-Cd-Hg",
"density": 9.475902406964186,
"density_atomic": 0.02976017926572802,
"volume": 134.40779251643895,
"volume_molar": 20.23556614437175,
"formula_full": "Ac2 Cd1 Hg1",
"formula_reduced": "Ac2CdHg",
"formula_anonymous": "ABC2",
"energy": -10.92467553,
"energy_per_atom": -2.7311688825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.92467553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.044984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.473000Z",
"spacegroup": 225
},
{
"id": "mp-862319",
"created_at": "2022-09-04T14:46:37.631948Z",
"structure_string": "Ac2 Cd1 Sn1\n1.0\n0.000000 4.088284 4.088284\n4.088284 0.000000 4.088284\n4.088284 4.088284 0.000000\nAc Cd Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cd",
"Sn"
],
"chemical_system": "Ac-Cd-Sn",
"density": 8.324596836689835,
"density_atomic": 0.02926892851809909,
"volume": 136.66369773415215,
"volume_molar": 20.575200613428933,
"formula_full": "Ac2 Cd1 Sn1",
"formula_reduced": "Ac2CdSn",
"formula_anonymous": "ABC2",
"energy": -15.03687997,
"energy_per_atom": -3.7592199925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.03687997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017073,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.349000Z",
"spacegroup": 225
},
{
"id": "mp-1207291",
"created_at": "2022-09-04T14:45:19.811873Z",
"structure_string": "Ac2 Cl2 O1\n1.0\n4.573430 0.000000 0.000000\n0.000000 4.573430 0.000000\n0.000000 0.000000 13.562265\nAc Cl O\n2 2 1\ndirect\n0.500000 0.500000 0.165087 Ac\n0.500000 0.500000 0.834913 Ac\n0.500000 0.500000 0.638617 Cl\n0.500000 0.500000 0.361383 Cl\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ac",
"Cl",
"O"
],
"chemical_system": "Ac-Cl-O",
"density": 3.1663149835030593,
"density_atomic": 0.017625997566064224,
"volume": 283.6718875773945,
"volume_molar": 34.1662407329193,
"formula_full": "Ac2 Cl2 O1",
"formula_reduced": "Ac2Cl2O",
"formula_anonymous": "AB2C2",
"energy": -25.00019883,
"energy_per_atom": -5.0000397659999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.31319883,
"band_gap": 0.2363,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.653000Z",
"spacegroup": 123
}
]
}