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=-nsites&page=10209",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10207",
"results": [
{
"id": "mp-1222621",
"created_at": "2022-09-04T14:44:09.183308Z",
"structure_string": "Li2 Zn1 Cd1 P2\n1.0\n-2.900670 -2.900670 0.000000\n0.000000 2.900670 -2.900670\n2.912656 -2.912656 -5.813328\nLi Zn Cd P\n2 1 1 2\ndirect\n0.871988 0.743976 0.384035 Li\n0.377303 0.754606 0.868091 Li\n0.749401 0.498802 0.751797 Zn\n0.250765 0.501530 0.247705 Cd\n0.003697 0.007394 0.988909 P\n0.496846 0.993692 0.509462 P\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Zn",
"Cd",
"P"
],
"chemical_system": "Cd-Li-P-Zn",
"density": 4.301146819741839,
"density_atomic": 0.06127063322270517,
"volume": 97.9261953796255,
"volume_molar": 9.828755544456106,
"formula_full": "Li2 Zn1 Cd1 P2",
"formula_reduced": "Li2ZnCdP2",
"formula_anonymous": "ABC2D2",
"energy": -17.44602243,
"energy_per_atom": -2.9076704049999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.44602243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068523,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.740000Z",
"spacegroup": 160
},
{
"id": "mp-1278619",
"created_at": "2022-09-04T14:44:14.409562Z",
"structure_string": "Mg1 Fe2 O3\n1.0\n-2.220172 -2.171569 0.019220\n-0.011166 2.244742 -6.483461\n2.200722 -2.153403 0.036370\nMg Fe O\n1 2 3\ndirect\n0.999982 0.000047 0.000035 Mg\n0.666108 0.334458 0.670022 Fe\n0.333909 0.665485 0.329932 Fe\n0.499961 0.000043 0.500060 O\n0.163618 0.328226 0.167634 O\n0.836421 0.671742 0.832317 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.951436258042606,
"density_atomic": 0.09723700480367145,
"volume": 61.70490352016122,
"volume_molar": 6.193260243010506,
"formula_full": "Mg1 Fe2 O3",
"formula_reduced": "MgFe2O3",
"formula_anonymous": "AB2C3",
"energy": -43.7131786,
"energy_per_atom": -7.2855297666666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.1401786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.597000Z",
"spacegroup": 12
},
{
"id": "mp-9936",
"created_at": "2022-09-04T14:44:16.200310Z",
"structure_string": "Dy2 B2 C2\n1.0\n1.694801 -9.538492 0.000000\n1.694801 9.538492 0.000000\n0.000000 0.000000 3.526504\nDy B C\n2 2 2\ndirect\n0.843734 0.156266 0.000000 Dy\n0.156266 0.843734 0.000000 Dy\n0.276689 0.723311 0.500000 B\n0.723311 0.276689 0.500000 B\n0.645125 0.354875 0.500000 C\n0.354875 0.645125 0.500000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"B",
"C"
],
"chemical_system": "B-C-Dy",
"density": 5.397996029063512,
"density_atomic": 0.05262334403392923,
"volume": 114.01783961375511,
"volume_molar": 11.443857988418957,
"formula_full": "Dy2 B2 C2",
"formula_reduced": "DyBC",
"formula_anonymous": "ABC",
"energy": -41.18317973,
"energy_per_atom": -6.8638632883333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.18317973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0197108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.600000Z",
"spacegroup": 65
},
{
"id": "mp-972408",
"created_at": "2022-09-04T14:44:16.351769Z",
"structure_string": "U2 Bi2 Te2\n1.0\n4.424165 0.000000 0.000000\n0.000000 4.424165 0.000000\n0.000000 0.000000 9.144456\nU Bi Te\n2 2 2\ndirect\n0.500000 0.000000 0.284389 U\n0.000000 0.500000 0.715611 U\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.365276 Te\n0.500000 0.000000 0.634724 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-U",
"density": 10.661817527017162,
"density_atomic": 0.033522063501192315,
"volume": 178.98659489701737,
"volume_molar": 17.964707810382272,
"formula_full": "U2 Bi2 Te2",
"formula_reduced": "UBiTe",
"formula_anonymous": "ABC",
"energy": -40.00707449,
"energy_per_atom": -6.667845748333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.16307449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7970021,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.159000Z",
"spacegroup": 129
},
{
"id": "mp-1080248",
"created_at": "2022-09-04T14:44:09.104126Z",
"structure_string": "Ce2 Se4\n1.0\n-3.368003 4.097581 5.263490\n3.368003 -4.097581 5.263490\n3.368003 4.097581 -5.263490\nCe Se\n2 4\ndirect\n0.250000 0.000000 0.250000 Ce\n0.750000 0.000000 0.750000 Ce\n0.116960 0.316379 0.199419 Se\n0.883040 0.683621 0.800581 Se\n0.383040 0.082459 0.699419 Se\n0.616960 0.917541 0.300581 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 3.4065440457020606,
"density_atomic": 0.020649875607759254,
"volume": 290.55865100443907,
"volume_molar": 29.163084923074127,
"formula_full": "Ce2 Se4",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -34.33891419,
"energy_per_atom": -5.723152365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.45091419,
"band_gap": 0.6711,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.470000Z",
"spacegroup": 72
},
{
"id": "mp-227",
"created_at": "2022-09-04T14:44:14.193243Z",
"structure_string": "Sm1 Cu5\n1.0\n2.539926 -4.399281 0.000000\n2.539926 4.399281 0.000000\n0.000000 0.000000 4.092718\nSm Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Cu"
],
"chemical_system": "Cu-Sm",
"density": 8.498335585764057,
"density_atomic": 0.06560042702156545,
"volume": 91.46281925920334,
"volume_molar": 9.180032864756026,
"formula_full": "Sm1 Cu5",
"formula_reduced": "SmCu5",
"formula_anonymous": "AB5",
"energy": -26.262426150000003,
"energy_per_atom": -4.377071025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.262426150000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010559,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.574000Z",
"spacegroup": 191
},
{
"id": "mp-1183089",
"created_at": "2022-09-04T14:44:19.313932Z",
"structure_string": "Ac4 Mg2\n1.0\n2.036575 7.280329 0.000000\n-2.036575 7.280329 0.000000\n0.000000 2.276016 7.840958\nAc Mg\n4 2\ndirect\n0.851343 0.851343 0.570096 Ac\n0.148657 0.148657 0.429904 Ac\n0.843076 0.843076 0.082161 Ac\n0.156924 0.156924 0.917839 Ac\n0.496994 0.496994 0.762259 Mg\n0.503006 0.503006 0.237741 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 6.831773774460174,
"density_atomic": 0.025804812823089926,
"volume": 232.51476540962355,
"volume_molar": 23.337277434585534,
"formula_full": "Ac4 Mg2",
"formula_reduced": "Ac2Mg",
"formula_anonymous": "AB2",
"energy": -19.86414497,
"energy_per_atom": -3.3106908283333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.86414497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0585675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.121000Z",
"spacegroup": 12
},
{
"id": "mp-1216065",
"created_at": "2022-09-04T14:44:13.464179Z",
"structure_string": "Y2 Co3 Si1\n1.0\n4.143458 -2.628182 0.000000\n4.143458 2.628182 0.000000\n2.476411 0.000000 4.235915\nY Co Si\n2 3 1\ndirect\n0.626777 0.626777 0.626777 Y\n0.373223 0.373223 0.373223 Y\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Co",
"Si"
],
"chemical_system": "Co-Si-Y",
"density": 6.888240489745894,
"density_atomic": 0.06503627225243043,
"volume": 92.25621014549735,
"volume_molar": 9.259664724672087,
"formula_full": "Y2 Co3 Si1",
"formula_reduced": "Y2Co3Si",
"formula_anonymous": "AB2C3",
"energy": -42.07564065,
"energy_per_atom": -7.012606774999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.14664065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.304183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.594000Z",
"spacegroup": 166
},
{
"id": "mp-568555",
"created_at": "2022-09-04T14:44:08.036224Z",
"structure_string": "Sm1 Si2 Rh3\n1.0\n2.784528 -4.822944 0.000000\n2.784528 4.822944 0.000000\n0.000000 0.000000 3.686591\nSm Si Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Sm",
"density": 8.640646300342254,
"density_atomic": 0.060594399735292126,
"volume": 99.01905169803022,
"volume_molar": 9.938444454120917,
"formula_full": "Sm1 Si2 Rh3",
"formula_reduced": "SmSi2Rh3",
"formula_anonymous": "AB2C3",
"energy": -43.76760465,
"energy_per_atom": -7.294600775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.76760465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000798,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.532000Z",
"spacegroup": 191
},
{
"id": "mp-1019315",
"created_at": "2022-09-04T14:44:08.777372Z",
"structure_string": "Tb2 Sb2 Pd2\n1.0\n2.290741 -3.967681 0.000000\n2.290741 3.967681 0.000000\n0.000000 0.000000 7.645873\nTb Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Tb",
"density": 9.249930172463877,
"density_atomic": 0.04316993929791886,
"volume": 138.98560196236477,
"volume_molar": 13.949847643844882,
"formula_full": "Tb2 Sb2 Pd2",
"formula_reduced": "TbSbPd",
"formula_anonymous": "ABC",
"energy": -34.04577208,
"energy_per_atom": -5.674295346666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.04577208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003554,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.924000Z",
"spacegroup": 194
},
{
"id": "mp-12571",
"created_at": "2022-09-04T14:44:10.220532Z",
"structure_string": "Hf2 Be2 Si2\n1.0\n1.853984 -3.211195 0.000000\n1.853984 3.211195 0.000000\n0.000000 0.000000 7.134668\nHf Be Si\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.333333 0.666667 0.250000 Be\n0.666667 0.333333 0.750000 Be\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Si"
],
"chemical_system": "Be-Hf-Si",
"density": 8.428040443206498,
"density_atomic": 0.0706276612281152,
"volume": 84.95255110630141,
"volume_molar": 8.526603678054014,
"formula_full": "Hf2 Be2 Si2",
"formula_reduced": "HfBeSi",
"formula_anonymous": "ABC",
"energy": -42.0293316,
"energy_per_atom": -7.0048886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.1713316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.576000Z",
"spacegroup": 194
},
{
"id": "mp-30240",
"created_at": "2022-09-04T14:44:13.387065Z",
"structure_string": "Ca2 Co1 O3\n1.0\n2.316610 2.327625 0.000000\n-2.316610 2.327625 0.000000\n0.000000 1.514609 10.981519\nCa Co O\n2 1 3\ndirect\n0.562988 0.562988 0.798090 Ca\n0.437012 0.437012 0.201910 Ca\n0.000000 0.000000 0.000000 Co\n0.061501 0.061501 0.803533 O\n0.938499 0.938499 0.196467 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 2.6232233689565048,
"density_atomic": 0.050663232693693994,
"volume": 118.42907925507909,
"volume_molar": 11.886609755854705,
"formula_full": "Ca2 Co1 O3",
"formula_reduced": "Ca2CoO3",
"formula_anonymous": "AB2C3",
"energy": -40.36851729,
"energy_per_atom": -6.728086215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.66951729,
"band_gap": 0.9151,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9998686,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.361000Z",
"spacegroup": 12
}
]
}