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_uncorrected&page=1717",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=1715",
"results": [
{
"id": "mp-1186380",
"created_at": "2022-09-04T14:45:20.038574Z",
"structure_string": "Pa3 Cd1\n1.0\n4.625337 0.000000 0.000000\n0.000000 4.625337 0.000000\n0.000000 0.000000 4.625337\nPa Cd\n3 1\ndirect\n0.500000 0.500000 0.000000 Pa\n0.500000 0.000000 0.500000 Pa\n0.000000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pa",
"Cd"
],
"chemical_system": "Cd-Pa",
"density": 13.51744309178489,
"density_atomic": 0.040423121700647255,
"volume": 98.95326812268316,
"volume_molar": 14.897762732420471,
"formula_full": "Pa3 Cd1",
"formula_reduced": "Pa3Cd",
"formula_anonymous": "AB3",
"energy": -28.67656229,
"energy_per_atom": -7.1691405725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.67656229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001659,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.502000Z",
"spacegroup": 221
},
{
"id": "mp-571407",
"created_at": "2022-09-04T14:40:27.367158Z",
"structure_string": "U2 Pb2\n1.0\n-2.288675 2.288675 5.178540\n2.288675 -2.288675 5.178540\n2.288675 2.288675 -5.178540\nU Pb\n2 2\ndirect\n0.500000 0.500000 0.000000 U\n0.250000 0.750000 0.500000 U\n0.000000 0.000000 0.000000 Pb\n0.750000 0.250000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Pb"
],
"chemical_system": "Pb-U",
"density": 13.627835161693913,
"density_atomic": 0.03686586373115767,
"volume": 108.50145894233715,
"volume_molar": 16.335276460402877,
"formula_full": "U2 Pb2",
"formula_reduced": "UPb",
"formula_anonymous": "AB",
"energy": -28.67831704,
"energy_per_atom": -7.16957926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.67831704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8400332,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.669000Z",
"spacegroup": 141
},
{
"id": "mp-1070869",
"created_at": "2022-09-04T14:44:58.779317Z",
"structure_string": "Zr1 Cu4 Ag1\n1.0\n0.000000 3.501714 3.501714\n3.501714 0.000000 3.501714\n3.501714 3.501714 0.000000\nZr Cu Ag\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.625542 0.625542 0.123374 Cu\n0.625542 0.123374 0.625542 Cu\n0.123374 0.625542 0.625542 Cu\n0.625542 0.625542 0.625542 Cu\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Zr",
"density": 8.764759435710742,
"density_atomic": 0.06986814891357031,
"volume": 85.87604070378679,
"volume_molar": 8.61929341716156,
"formula_full": "Zr1 Cu4 Ag1",
"formula_reduced": "ZrCu4Ag",
"formula_anonymous": "ABC4",
"energy": -28.67845835,
"energy_per_atom": -4.779743058333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.67845835,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.944000Z",
"spacegroup": 216
},
{
"id": "mp-631325",
"created_at": "2022-09-04T14:40:30.231695Z",
"structure_string": "Sc1 Hg1 W2\n1.0\n0.000000 3.313551 3.313551\n3.313551 0.000000 3.313551\n3.313551 3.313551 0.000000\nSc Hg W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 W\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"W"
],
"chemical_system": "Hg-Sc-W",
"density": 13.994539797875229,
"density_atomic": 0.05497294678138189,
"volume": 72.76306318282924,
"volume_molar": 10.954735215394283,
"formula_full": "Sc1 Hg1 W2",
"formula_reduced": "ScHgW2",
"formula_anonymous": "ABC2",
"energy": -28.67901095,
"energy_per_atom": -7.1697527375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.67901095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5300408,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.942000Z",
"spacegroup": 225
},
{
"id": "mp-995182",
"created_at": "2022-09-04T14:42:29.584633Z",
"structure_string": "Nd1 B4\n1.0\n-1.806411 2.820433 3.310011\n1.806411 -2.820433 3.310011\n1.806411 2.820433 -3.310011\nNd B\n1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.519720 0.371747 0.147973 B\n0.223774 0.371747 0.852027 B\n0.480280 0.628253 0.852027 B\n0.776226 0.628253 0.147973 B\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Nd",
"B"
],
"chemical_system": "B-Nd",
"density": 4.615259830366013,
"density_atomic": 0.0741221860620067,
"volume": 67.45618640844273,
"volume_molar": 8.124612993688821,
"formula_full": "Nd1 B4",
"formula_reduced": "NdB4",
"formula_anonymous": "AB4",
"energy": -28.67935389,
"energy_per_atom": -5.735870778000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.67935389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.654000Z",
"spacegroup": 71
},
{
"id": "mp-1021959",
"created_at": "2022-09-04T14:48:20.451640Z",
"structure_string": "K2 Mg12 Ni2\n1.0\n5.071664 0.000000 0.000000\n0.000000 6.419414 0.000000\n0.000000 0.000000 11.143548\nK Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.164395 K\n0.500000 0.000000 0.664395 K\n0.500000 0.253857 0.416856 Mg\n0.500000 0.746143 0.416856 Mg\n0.000000 0.777065 0.086259 Mg\n0.000000 0.222935 0.086259 Mg\n0.000000 0.000000 0.324698 Mg\n0.000000 0.500000 0.343196 Mg\n0.500000 0.753857 0.916856 Mg\n0.500000 0.246143 0.916856 Mg\n0.000000 0.277065 0.586259 Mg\n0.000000 0.722935 0.586259 Mg\n0.000000 0.500000 0.824698 Mg\n0.000000 0.000000 0.843196 Mg\n0.500000 0.000000 0.161477 Ni\n0.500000 0.500000 0.661477 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Ni"
],
"chemical_system": "K-Mg-Ni",
"density": 2.230107076266884,
"density_atomic": 0.04410122325816579,
"volume": 362.801727887161,
"volume_molar": 13.65526920817313,
"formula_full": "K2 Mg12 Ni2",
"formula_reduced": "KMg6Ni",
"formula_anonymous": "ABC6",
"energy": -28.68138124,
"energy_per_atom": -1.7925863275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.68138124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:57.450000Z",
"spacegroup": 38
},
{
"id": "mp-1018724",
"created_at": "2022-09-04T14:47:39.560057Z",
"structure_string": "Ho2 Cu2 Sn2\n1.0\n2.261535 -3.917093 0.000000\n2.261535 3.917093 0.000000\n0.000000 0.000000 7.300757\nHo Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"Sn"
],
"chemical_system": "Cu-Ho-Sn",
"density": 8.91408174524826,
"density_atomic": 0.046385918979684575,
"volume": 129.34959858460047,
"volume_molar": 12.982691498766016,
"formula_full": "Ho2 Cu2 Sn2",
"formula_reduced": "HoCuSn",
"formula_anonymous": "ABC",
"energy": -28.68186655,
"energy_per_atom": -4.7803110916666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.68186655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.701000Z",
"spacegroup": 194
},
{
"id": "mp-9834",
"created_at": "2022-09-04T14:40:02.727217Z",
"structure_string": "Nd1 Ga1 O3\n1.0\n4.563814 0.000000 0.000000\n0.000000 4.563814 0.000000\n0.000000 0.000000 4.563814\nNd Ga O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"O"
],
"chemical_system": "Ga-Nd-O",
"density": 4.576206098699859,
"density_atomic": 0.05260005466925251,
"volume": 95.05693542411397,
"volume_molar": 11.448924906764892,
"formula_full": "Nd1 Ga1 O3",
"formula_reduced": "NdGaO3",
"formula_anonymous": "ABC3",
"energy": -30.74543997,
"energy_per_atom": -6.149087994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.68443997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9978381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.244000Z",
"spacegroup": 221
},
{
"id": "mp-31414",
"created_at": "2022-09-04T14:40:55.212726Z",
"structure_string": "Dy2 Sn2 Au2\n1.0\n2.355724 -4.080233 0.000000\n2.355724 4.080233 0.000000\n0.000000 0.000000 7.457862\nDy Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.247830 Dy\n0.000000 0.000000 0.747830 Dy\n0.666667 0.333333 0.974548 Sn\n0.333333 0.666667 0.474548 Sn\n0.333333 0.666667 0.076122 Au\n0.666667 0.333333 0.576122 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Sn",
"Au"
],
"chemical_system": "Au-Dy-Sn",
"density": 11.076783709474299,
"density_atomic": 0.041850200332326185,
"volume": 143.36848933469605,
"volume_molar": 14.389753722034971,
"formula_full": "Dy2 Sn2 Au2",
"formula_reduced": "DySnAu",
"formula_anonymous": "ABC",
"energy": -28.68746748,
"energy_per_atom": -4.78124458,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.68746748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014872,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.339000Z",
"spacegroup": 186
},
{
"id": "mp-1225508",
"created_at": "2022-09-04T14:45:13.768809Z",
"structure_string": "Er2 Se3\n1.0\n3.947039 0.000000 0.000000\n0.000000 3.947039 0.000000\n0.000000 0.000000 8.057415\nEr Se\n2 3\ndirect\n0.500000 0.000000 0.762025 Er\n0.000000 0.500000 0.237975 Er\n0.000000 0.500000 0.865948 Se\n0.500000 0.000000 0.134052 Se\n0.500000 0.500000 0.500000 Se\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Er",
"Se"
],
"chemical_system": "Er-Se",
"density": 7.558737187898181,
"density_atomic": 0.039831937921641386,
"volume": 125.52740993511674,
"volume_molar": 15.11887463734991,
"formula_full": "Er2 Se3",
"formula_reduced": "Er2Se3",
"formula_anonymous": "A2B3",
"energy": -30.10358602,
"energy_per_atom": -6.020717204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.68758602,
"band_gap": 0.2324999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.717000Z",
"spacegroup": 115
},
{
"id": "mp-1097028",
"created_at": "2022-09-04T14:45:42.576905Z",
"structure_string": "Gd1 Ag1 Se2\n1.0\n2.061773 -3.571096 0.000000\n2.061773 3.571096 0.000000\n0.000000 0.000000 6.725426\nGd Ag Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.247949 Se\n0.666667 0.333333 0.752051 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Ag",
"Se"
],
"chemical_system": "Ag-Gd-Se",
"density": 7.093107070785371,
"density_atomic": 0.04038943927123595,
"volume": 99.03578935914246,
"volume_molar": 14.910186594961651,
"formula_full": "Gd1 Ag1 Se2",
"formula_reduced": "GdAgSe2",
"formula_anonymous": "ABC2",
"energy": -29.63179811,
"energy_per_atom": -7.4079495275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.68779811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.705000Z",
"spacegroup": 164
},
{
"id": "mp-865249",
"created_at": "2022-09-04T14:46:33.759480Z",
"structure_string": "Tm1 Sn1 Ru2\n1.0\n0.000000 3.283477 3.283477\n3.283477 0.000000 3.283477\n3.283477 3.283477 0.000000\nTm Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Sn",
"Ru"
],
"chemical_system": "Ru-Sn-Tm",
"density": 11.48740535447699,
"density_atomic": 0.05649734770808136,
"volume": 70.7997837468013,
"volume_molar": 10.65915658751994,
"formula_full": "Tm1 Sn1 Ru2",
"formula_reduced": "TmSnRu2",
"formula_anonymous": "ABC2",
"energy": -28.68867481,
"energy_per_atom": -7.1721687025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.68867481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0220467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.610000Z",
"spacegroup": 225
}
]
}