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_per_atom&page=144",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=142",
"results": [
{
"id": "mp-1093930",
"created_at": "2022-09-04T14:42:46.105869Z",
"structure_string": "K1 Tl2 Pb1\n1.0\n-6.414574 6.834878 9.445505\n6.414574 -6.834878 9.445505\n6.414574 6.834878 -9.445505\nK Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.275814 0.275814 Tl\n0.000000 0.724186 0.724186 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Tl",
"Pb"
],
"chemical_system": "K-Pb-Tl",
"density": 0.6566737661778806,
"density_atomic": 0.002414772554407445,
"volume": 1656.4707068163405,
"volume_molar": 249.38749403161734,
"formula_full": "K1 Tl2 Pb1",
"formula_reduced": "KTl2Pb",
"formula_anonymous": "ABC2",
"energy": -6.36546494,
"energy_per_atom": -1.591366235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36546494,
"band_gap": 0.0924999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0003629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.624000Z",
"spacegroup": 71
},
{
"id": "mp-865907",
"created_at": "2022-09-04T14:46:07.367490Z",
"structure_string": "Li1 Zn3\n1.0\n0.000000 3.068713 3.068713\n3.068713 0.000000 3.068713\n3.068713 3.068713 0.000000\nLi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Zn"
],
"chemical_system": "Li-Zn",
"density": 5.837213628709853,
"density_atomic": 0.06920877722954219,
"volume": 57.79613742825347,
"volume_molar": 8.701411874431171,
"formula_full": "Li1 Zn3",
"formula_reduced": "LiZn3",
"formula_anonymous": "AB3",
"energy": -6.36570007,
"energy_per_atom": -1.5914250175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36570007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.796000Z",
"spacegroup": 225
},
{
"id": "mp-1183658",
"created_at": "2022-09-04T14:42:40.869566Z",
"structure_string": "Cd3 Bi1\n1.0\n-2.377830 2.377830 4.565530\n2.377830 -2.377830 4.565530\n2.377830 2.377830 -4.565530\nCd Bi\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd",
"density": 8.784127916601182,
"density_atomic": 0.03873889200513844,
"volume": 103.25540543259285,
"volume_molar": 15.545464643648572,
"formula_full": "Cd3 Bi1",
"formula_reduced": "Cd3Bi",
"formula_anonymous": "AB3",
"energy": -6.36636463,
"energy_per_atom": -1.5915911575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36636463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.905000Z",
"spacegroup": 139
},
{
"id": "mp-1187096",
"created_at": "2022-09-04T14:46:07.959030Z",
"structure_string": "Sr2 Zn1 Hg1\n1.0\n0.000000 3.975331 3.975331\n3.975331 0.000000 3.975331\n3.975331 3.975331 0.000000\nSr Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Hg"
],
"chemical_system": "Hg-Sr-Zn",
"density": 5.831403689945403,
"density_atomic": 0.03183538523237563,
"volume": 125.6463514043524,
"volume_molar": 18.916500353435847,
"formula_full": "Sr2 Zn1 Hg1",
"formula_reduced": "Sr2ZnHg",
"formula_anonymous": "ABC2",
"energy": -6.36651134,
"energy_per_atom": -1.591627835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36651134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.921000Z",
"spacegroup": 225
},
{
"id": "mp-1201592",
"created_at": "2022-09-04T14:43:40.207830Z",
"structure_string": "Tb2 Cd40 Ni4\n1.0\n0.000000 7.879344 7.879344\n7.879344 0.000000 7.879344\n7.879344 7.879344 0.000000\nTb Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Tb\n0.568624 0.301371 0.301371 Cd\n0.301371 0.568624 0.828634 Cd\n0.301371 0.828634 0.568624 Cd\n0.828634 0.301371 0.301371 Cd\n0.301371 0.301371 0.568624 Cd\n0.568624 0.828634 0.301371 Cd\n0.828634 0.568624 0.301371 Cd\n0.301371 0.301371 0.828634 Cd\n0.301371 0.568624 0.301371 Cd\n0.828634 0.301371 0.568624 Cd\n0.568624 0.301371 0.828634 Cd\n0.301371 0.828634 0.301371 Cd\n0.681376 0.948629 0.948629 Cd\n0.948629 0.681376 0.421366 Cd\n0.948629 0.421366 0.681376 Cd\n0.421366 0.948629 0.948629 Cd\n0.948629 0.948629 0.681376 Cd\n0.681376 0.421366 0.948629 Cd\n0.421366 0.681376 0.948629 Cd\n0.948629 0.948629 0.421366 Cd\n0.948629 0.681376 0.948629 Cd\n0.421366 0.948629 0.681376 Cd\n0.681376 0.948629 0.421366 Cd\n0.948629 0.421366 0.948629 Cd\n0.861654 0.861654 0.138346 Cd\n0.138346 0.138346 0.861654 Cd\n0.861654 0.138346 0.861654 Cd\n0.138346 0.861654 0.138346 Cd\n0.138346 0.861654 0.861654 Cd\n0.861654 0.138346 0.138346 Cd\n0.388346 0.388346 0.111654 Cd\n0.111654 0.111654 0.388346 Cd\n0.388346 0.111654 0.388346 Cd\n0.111654 0.388346 0.111654 Cd\n0.111654 0.388346 0.388346 Cd\n0.388346 0.111654 0.111654 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Ni"
],
"chemical_system": "Cd-Ni-Tb",
"density": 8.569585550687798,
"density_atomic": 0.04701729627628561,
"volume": 978.3633607873213,
"volume_molar": 12.808351898017204,
"formula_full": "Tb2 Cd40 Ni4",
"formula_reduced": "Tb(Cd10Ni)2",
"formula_anonymous": "AB2C20",
"energy": -73.21575102,
"energy_per_atom": -1.591646761304348,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.21575102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1094444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.498000Z",
"spacegroup": 227
},
{
"id": "mp-13365",
"created_at": "2022-09-04T14:44:55.206574Z",
"structure_string": "Sr4 Zn8\n1.0\n2.968370 -5.141368 0.000000\n2.968370 5.141368 0.000000\n0.000000 0.000000 9.070907\nSr Zn\n4 8\ndirect\n0.333333 0.666667 0.447012 Sr\n0.666667 0.333333 0.947012 Sr\n0.666667 0.333333 0.552988 Sr\n0.333333 0.666667 0.052988 Sr\n0.157034 0.314068 0.750000 Zn\n0.842966 0.157034 0.250000 Zn\n0.314068 0.157034 0.250000 Zn\n0.685932 0.842966 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.842966 0.685932 0.250000 Zn\n0.157034 0.842966 0.750000 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 5.2403445966289794,
"density_atomic": 0.043341487473852,
"volume": 276.87097742641214,
"volume_molar": 13.89463332017197,
"formula_full": "Sr4 Zn8",
"formula_reduced": "SrZn2",
"formula_anonymous": "AB2",
"energy": -19.10953286,
"energy_per_atom": -1.5924610716666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.10953286,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.471000Z",
"spacegroup": 194
},
{
"id": "mp-975799",
"created_at": "2022-09-04T14:44:18.123176Z",
"structure_string": "Li2 Zn6\n1.0\n2.762500 -4.784791 0.000000\n2.762500 4.784791 0.000000\n0.000000 0.000000 4.435102\nLi Zn\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.664400 0.832200 0.250000 Zn\n0.167800 0.335600 0.250000 Zn\n0.832200 0.167800 0.750000 Zn\n0.335600 0.167800 0.750000 Zn\n0.832200 0.664400 0.750000 Zn\n0.167800 0.832200 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Zn"
],
"chemical_system": "Li-Zn",
"density": 5.754870182351951,
"density_atomic": 0.06823247421961509,
"volume": 117.24622463859305,
"volume_molar": 8.825915854402345,
"formula_full": "Li2 Zn6",
"formula_reduced": "LiZn3",
"formula_anonymous": "AB3",
"energy": -12.74459037,
"energy_per_atom": -1.59307379625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.74459037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.183000Z",
"spacegroup": 194
},
{
"id": "mp-1183050",
"created_at": "2022-09-04T14:44:08.864876Z",
"structure_string": "Ba1 Yb3\n1.0\n-2.851113 2.851113 5.836945\n2.851113 -2.851113 5.836945\n2.851113 2.851113 -5.836945\nBa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Yb"
],
"chemical_system": "Ba-Yb",
"density": 5.743469409788554,
"density_atomic": 0.02107587131844835,
"volume": 189.79049262360405,
"volume_molar": 28.57362653722713,
"formula_full": "Ba1 Yb3",
"formula_reduced": "BaYb3",
"formula_anonymous": "AB3",
"energy": -6.37446205,
"energy_per_atom": -1.5936155125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.37446205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.749000Z",
"spacegroup": 139
},
{
"id": "mp-1094270",
"created_at": "2022-09-04T14:45:02.891531Z",
"structure_string": "Sr3 Mg1\n1.0\n0.000000 4.445928 4.445928\n4.445928 0.000000 4.445928\n4.445928 4.445928 0.000000\nSr Mg\n3 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.7130845778641652,
"density_atomic": 0.022758452077836017,
"volume": 175.75887790257568,
"volume_molar": 26.461117563724105,
"formula_full": "Sr3 Mg1",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy": -6.37802363,
"energy_per_atom": -1.5945059075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.37802363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0141515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.696000Z",
"spacegroup": 225
},
{
"id": "mp-1094688",
"created_at": "2022-09-04T14:43:58.650377Z",
"structure_string": "Sr3 Mg1\n1.0\n2.103918 -3.644092 0.000000\n2.103918 3.644092 0.000000\n0.000000 0.000000 12.373348\nSr Mg\n3 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.000000 0.000000 0.284730 Sr\n0.000000 0.000000 0.715270 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5133052513190104,
"density_atomic": 0.02108262218796964,
"volume": 189.7297197823199,
"volume_molar": 28.56447697211218,
"formula_full": "Sr3 Mg1",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy": -6.37837269,
"energy_per_atom": -1.5945931725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.37837269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.140000Z",
"spacegroup": 187
},
{
"id": "mp-1095903",
"created_at": "2022-09-04T14:44:29.015555Z",
"structure_string": "Li1 Ag2 Au1\n1.0\n-5.236138 5.574972 7.872400\n5.236138 -5.574972 7.872400\n5.236138 5.574972 -7.872400\nLi Ag Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.248844 0.248844 Ag\n0.000000 0.751156 0.751156 Ag\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Li",
"density": 0.7580697465132834,
"density_atomic": 0.004351500851406873,
"volume": 919.2230764948075,
"volume_molar": 138.39226891229944,
"formula_full": "Li1 Ag2 Au1",
"formula_reduced": "LiAg2Au",
"formula_anonymous": "ABC2",
"energy": -6.38223442,
"energy_per_atom": -1.595558605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.38223442,
"band_gap": 0.4872000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.453000Z",
"spacegroup": 71
},
{
"id": "mp-1207597",
"created_at": "2022-09-04T14:41:50.883748Z",
"structure_string": "Yb8 Al2\n1.0\n-6.067799 -6.067799 0.000000\n-6.067799 0.000000 -6.067799\n0.000000 -6.067799 -6.067799\nYb Al\n8 2\ndirect\n0.609532 0.609532 0.609532 Yb\n0.171404 0.609532 0.609532 Yb\n0.609532 0.171404 0.609532 Yb\n0.578596 0.140468 0.140468 Yb\n0.140468 0.140468 0.140468 Yb\n0.609532 0.609532 0.171404 Yb\n0.140468 0.578596 0.140468 Yb\n0.140468 0.140468 0.578596 Yb\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Yb",
"Al"
],
"chemical_system": "Al-Yb",
"density": 5.3452732871505795,
"density_atomic": 0.02238084328272792,
"volume": 446.8106886623593,
"volume_molar": 26.907568601972642,
"formula_full": "Yb8 Al2",
"formula_reduced": "Yb4Al",
"formula_anonymous": "AB4",
"energy": -15.95637754,
"energy_per_atom": -1.595637754,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.95637754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.126000Z",
"spacegroup": 227
}
]
}