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&page=10184",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10182",
"results": [
{
"id": "mp-1110897",
"created_at": "2022-09-04T14:40:06.954472Z",
"structure_string": "K2 Na1 Bi1 Br6\n1.0\n0.000000 5.748856 5.748856\n5.748856 0.000000 5.748856\n5.748856 5.748856 0.000000\nK Na Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.751347 0.248653 0.248653 Br\n0.248653 0.248653 0.751347 Br\n0.248653 0.751347 0.751347 Br\n0.248653 0.751347 0.248653 Br\n0.751347 0.248653 0.751347 Br\n0.751347 0.751347 0.248653 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-K-Na",
"density": 3.450459015640233,
"density_atomic": 0.026316353602924118,
"volume": 379.99185414839764,
"volume_molar": 22.883644333350404,
"formula_full": "K2 Na1 Bi1 Br6",
"formula_reduced": "K2NaBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.31560067,
"energy_per_atom": -3.3315600670000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.11160067,
"band_gap": 3.1276,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.133000Z",
"spacegroup": 225
},
{
"id": "mp-1185490",
"created_at": "2022-09-04T14:44:47.516090Z",
"structure_string": "Lu1 Pd1 O3\n1.0\n3.963751 0.000000 0.000000\n0.000000 3.963751 0.000000\n0.000000 0.000000 3.963751\nLu Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"Pd",
"O"
],
"chemical_system": "Lu-O-Pd",
"density": 8.782822082118303,
"density_atomic": 0.08028805008062118,
"volume": 62.275768249188445,
"volume_molar": 7.5006688466750315,
"formula_full": "Lu1 Pd1 O3",
"formula_reduced": "LuPdO3",
"formula_anonymous": "ABC3",
"energy": -33.31490113,
"energy_per_atom": -6.662980226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.25390113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.432000Z",
"spacegroup": 221
},
{
"id": "mp-862364",
"created_at": "2022-09-04T14:45:57.468895Z",
"structure_string": "Sc2 Os1 Pt1\n1.0\n0.000000 3.252824 3.252824\n3.252824 0.000000 3.252824\n3.252824 3.252824 0.000000\nSc Os Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Pt"
],
"chemical_system": "Os-Pt-Sc",
"density": 11.464033258463692,
"density_atomic": 0.05810965523931451,
"volume": 68.83537655707465,
"volume_molar": 10.363408172357694,
"formula_full": "Sc2 Os1 Pt1",
"formula_reduced": "Sc2OsPt",
"formula_anonymous": "ABC2",
"energy": -33.31296436,
"energy_per_atom": -8.32824109,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.31296436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.797000Z",
"spacegroup": 225
},
{
"id": "mp-567474",
"created_at": "2022-09-04T14:39:23.804352Z",
"structure_string": "Li2 Cr1 Cl4\n1.0\n5.077206 3.743567 0.000000\n-5.077206 3.743567 0.000000\n0.000000 0.362339 3.780443\nLi Cr Cl\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n0.241772 0.241772 0.535737 Cl\n0.763231 0.236769 0.000000 Cl\n0.758228 0.758228 0.464263 Cl\n0.236769 0.763231 0.000000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Li",
"density": 2.39983734902604,
"density_atomic": 0.048709643961624034,
"volume": 143.7087079822419,
"volume_molar": 12.363343827239946,
"formula_full": "Li2 Cr1 Cl4",
"formula_reduced": "Li2CrCl4",
"formula_anonymous": "AB2C4",
"energy": -33.31273384,
"energy_per_atom": -4.7589619771428575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.85673384,
"band_gap": 0.3302,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9979124,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.010000Z",
"spacegroup": 12
},
{
"id": "mp-1184147",
"created_at": "2022-09-04T14:41:19.561889Z",
"structure_string": "Cu2 Ge6\n1.0\n2.915776 -5.050271 0.000000\n2.915776 5.050271 0.000000\n0.000000 0.000000 4.698857\nCu Ge\n2 6\ndirect\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.346881 0.173440 0.750000 Ge\n0.826560 0.173440 0.750000 Ge\n0.826560 0.653119 0.750000 Ge\n0.173440 0.826560 0.250000 Ge\n0.173440 0.346881 0.250000 Ge\n0.653119 0.826560 0.250000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge",
"density": 6.754822949792582,
"density_atomic": 0.057809461358156164,
"volume": 138.3856519685649,
"volume_molar": 10.41722344148836,
"formula_full": "Cu2 Ge6",
"formula_reduced": "CuGe3",
"formula_anonymous": "AB3",
"energy": -33.31119121,
"energy_per_atom": -4.16389890125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.31119121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.888000Z",
"spacegroup": 194
},
{
"id": "mp-1180226",
"created_at": "2022-09-04T14:41:23.623035Z",
"structure_string": "Na4 O4\n1.0\n3.006547 0.000000 0.000000\n0.000000 5.525968 0.000000\n0.000000 0.000000 6.370084\nNa O\n4 4\ndirect\n0.819474 0.750000 0.500000 Na\n0.180526 0.250000 0.000000 Na\n0.180526 0.250000 0.500000 Na\n0.819474 0.750000 0.000000 Na\n0.328807 0.933487 0.750000 O\n0.671193 0.066513 0.250000 O\n0.328807 0.566513 0.250000 O\n0.671193 0.433487 0.750000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 2.446986360118066,
"density_atomic": 0.07559071698961585,
"volume": 105.83310118753056,
"volume_molar": 7.966772905232903,
"formula_full": "Na4 O4",
"formula_reduced": "NaO",
"formula_anonymous": "AB",
"energy": -33.30944607,
"energy_per_atom": -4.16368075875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.56144607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0010111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.842000Z",
"spacegroup": 57
},
{
"id": "mp-1186913",
"created_at": "2022-09-04T14:48:23.182989Z",
"structure_string": "Rb1 Np3\n1.0\n4.986378 0.000000 0.000000\n0.000000 4.986378 0.000000\n0.000000 0.000000 4.986378\nRb Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000001 0.499999 0.499999 Np\n0.499999 0.000001 0.499999 Np\n0.499999 0.499999 0.000001 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Np"
],
"chemical_system": "Np-Rb",
"density": 10.667477285149026,
"density_atomic": 0.03226297398964298,
"volume": 123.9811308555769,
"volume_molar": 18.665795539906583,
"formula_full": "Rb1 Np3",
"formula_reduced": "RbNp3",
"formula_anonymous": "AB3",
"energy": -33.30886066,
"energy_per_atom": -8.327215165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.30886066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.7857633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:23.903000Z",
"spacegroup": 221
},
{
"id": "mp-1070580",
"created_at": "2022-09-04T14:41:36.973703Z",
"structure_string": "Al3 Ru2\n1.0\n-1.552514 1.552514 7.163036\n1.552514 -1.552514 7.163036\n1.552514 1.552514 -7.163036\nAl Ru\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.806502 0.806502 0.000000 Al\n0.193498 0.193498 0.000000 Al\n0.606287 0.606287 0.000000 Ru\n0.393713 0.393713 0.000000 Ru\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Ru"
],
"chemical_system": "Al-Ru",
"density": 6.806709097169213,
"density_atomic": 0.07240054390424969,
"volume": 69.0602546662155,
"volume_molar": 8.31781149042793,
"formula_full": "Al3 Ru2",
"formula_reduced": "Al3Ru2",
"formula_anonymous": "A2B3",
"energy": -33.30870826,
"energy_per_atom": -6.661741652000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.30870826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013181,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.442000Z",
"spacegroup": 139
},
{
"id": "mp-1110719",
"created_at": "2022-09-04T14:47:14.687434Z",
"structure_string": "Rb2 Cu1 Sb1 Br6\n1.0\n0.000000 5.487481 5.487481\n5.487481 0.000000 5.487481\n5.487481 5.487481 0.000000\nRb Cu Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741801 0.258199 0.258199 Br\n0.258199 0.258199 0.741801 Br\n0.258199 0.741801 0.741801 Br\n0.258199 0.741801 0.258199 Br\n0.741801 0.258199 0.741801 Br\n0.741801 0.741801 0.258199 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Sb",
"Br"
],
"chemical_system": "Br-Cu-Rb-Sb",
"density": 4.198871056682045,
"density_atomic": 0.030258745298559115,
"volume": 330.4829695128234,
"volume_molar": 19.902149611890113,
"formula_full": "Rb2 Cu1 Sb1 Br6",
"formula_reduced": "Rb2CuSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.30797104,
"energy_per_atom": -3.3307971039999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.10397104,
"band_gap": 0.4020999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.949000Z",
"spacegroup": 225
},
{
"id": "mp-1228921",
"created_at": "2022-09-04T14:44:56.610473Z",
"structure_string": "Al3 Ni2 Pt1\n1.0\n2.966308 0.000000 0.000000\n0.000000 2.966308 0.000000\n0.000000 0.000000 8.868396\nAl Ni Pt\n3 2 1\ndirect\n0.500000 0.500000 0.183745 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.816255 Al\n0.000000 0.000000 0.334265 Ni\n0.000000 0.000000 0.665735 Ni\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Pt"
],
"chemical_system": "Al-Ni-Pt",
"density": 8.3718783203596,
"density_atomic": 0.07689067738085437,
"volume": 78.0328669791897,
"volume_molar": 7.832081814250607,
"formula_full": "Al3 Ni2 Pt1",
"formula_reduced": "Al3Ni2Pt",
"formula_anonymous": "AB2C3",
"energy": -33.30756856,
"energy_per_atom": -5.551261426666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.30756856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.944000Z",
"spacegroup": 123
},
{
"id": "mp-1077552",
"created_at": "2022-09-04T14:44:58.347290Z",
"structure_string": "Tb1 Ni4 Au1\n1.0\n0.000000 3.495186 3.495186\n3.495186 0.000000 3.495186\n3.495186 3.495186 0.000000\nTb Ni Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.624882 0.624882 0.125353 Ni\n0.624882 0.125353 0.624882 Ni\n0.125353 0.624882 0.624882 Ni\n0.624882 0.624882 0.624882 Ni\n0.250000 0.250000 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Au"
],
"chemical_system": "Au-Ni-Tb",
"density": 11.48549836676274,
"density_atomic": 0.07026036123225748,
"volume": 85.39665744339098,
"volume_molar": 8.571178192626704,
"formula_full": "Tb1 Ni4 Au1",
"formula_reduced": "TbNi4Au",
"formula_anonymous": "ABC4",
"energy": -33.30681165,
"energy_per_atom": -5.551135275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.30681165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2599322,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.917000Z",
"spacegroup": 216
},
{
"id": "mp-568536",
"created_at": "2022-09-04T14:42:07.092100Z",
"structure_string": "Ba3 I6\n1.0\n4.639437 -8.035741 0.000000\n4.639437 8.035741 0.000000\n0.000000 0.000000 5.255723\nBa I\n3 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.591945 0.000000 0.500000 I\n0.000000 0.256569 0.000000 I\n0.256569 0.000000 0.000000 I\n0.000000 0.591945 0.500000 I\n0.408055 0.408055 0.500000 I\n0.743431 0.743431 0.000000 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ba",
"I"
],
"chemical_system": "Ba-I",
"density": 4.972152035972593,
"density_atomic": 0.02296618366322604,
"volume": 391.880520158471,
"volume_molar": 26.221773927736997,
"formula_full": "Ba3 I6",
"formula_reduced": "BaI2",
"formula_anonymous": "AB2",
"energy": -33.30599222,
"energy_per_atom": -3.7006658022222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.03199222,
"band_gap": 3.0488,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0012466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.437000Z",
"spacegroup": 189
}
]
}