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=10204",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10202",
"results": [
{
"id": "mp-1113424",
"created_at": "2022-09-04T14:41:11.110164Z",
"structure_string": "Cs2 Al1 Au1 Br6\n1.0\n0.000000 5.460996 5.460996\n5.460996 0.000000 5.460996\n5.460996 5.460996 0.000000\nCs Al Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.765065 0.234935 0.234935 Br\n0.234935 0.234935 0.765065 Br\n0.234935 0.765065 0.765065 Br\n0.234935 0.765065 0.234935 Br\n0.765065 0.234935 0.765065 Br\n0.765065 0.765065 0.234935 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Al",
"Au",
"Br"
],
"chemical_system": "Al-Au-Br-Cs",
"density": 4.940937034008949,
"density_atomic": 0.03070113483768139,
"volume": 325.7208586220202,
"volume_molar": 19.615368590898655,
"formula_full": "Cs2 Al1 Au1 Br6",
"formula_reduced": "Cs2AlAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.05466602,
"energy_per_atom": -3.305466602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.85066602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.925000Z",
"spacegroup": 225
},
{
"id": "mp-2881",
"created_at": "2022-09-04T14:39:30.801029Z",
"structure_string": "Tb1 Ge2 Rh2\n1.0\n-2.074291 2.074291 5.199299\n2.074291 -2.074291 5.199299\n2.074291 2.074291 -5.199299\nTb Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621656 0.621656 0.000000 Ge\n0.378344 0.378344 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Tb",
"density": 9.464311928144264,
"density_atomic": 0.05587607009807447,
"volume": 89.4837448522047,
"volume_molar": 10.777674144638041,
"formula_full": "Tb1 Ge2 Rh2",
"formula_reduced": "Tb(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -33.05452573,
"energy_per_atom": -6.610905146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.05452573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055527,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.727000Z",
"spacegroup": 139
},
{
"id": "mp-1017442",
"created_at": "2022-09-04T14:48:01.300129Z",
"structure_string": "Ba2 Mg12 Si2\n1.0\n4.950480 0.000000 0.000000\n0.000000 6.087459 0.000000\n0.000000 0.000000 14.270596\nBa Mg Si\n2 12 2\ndirect\n0.500000 0.500000 0.202178 Ba\n0.500000 0.000000 0.702178 Ba\n0.500000 0.242406 0.438377 Mg\n0.500000 0.757594 0.438377 Mg\n0.000000 0.755290 0.072970 Mg\n0.000000 0.244710 0.072970 Mg\n0.000000 0.000000 0.303129 Mg\n0.000000 0.500000 0.370960 Mg\n0.500000 0.742406 0.938377 Mg\n0.500000 0.257594 0.938377 Mg\n0.000000 0.255290 0.572970 Mg\n0.000000 0.744710 0.572970 Mg\n0.000000 0.500000 0.803129 Mg\n0.000000 0.000000 0.870960 Mg\n0.500000 0.000000 0.101035 Si\n0.500000 0.500000 0.601035 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Si"
],
"chemical_system": "Ba-Mg-Si",
"density": 2.403546437199328,
"density_atomic": 0.03720441770776916,
"volume": 430.0564552757084,
"volume_molar": 16.186628177606003,
"formula_full": "Ba2 Mg12 Si2",
"formula_reduced": "BaMg6Si",
"formula_anonymous": "ABC6",
"energy": -33.05439161,
"energy_per_atom": -2.065899475625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.19639161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.326000Z",
"spacegroup": 38
},
{
"id": "mp-977107",
"created_at": "2022-09-04T14:47:01.887464Z",
"structure_string": "Na1 Ru1 O3\n1.0\n3.867457 0.000000 0.000000\n0.000000 3.867457 0.000000\n0.000000 0.000000 3.867457\nNa Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ru\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": [
"Na",
"Ru",
"O"
],
"chemical_system": "Na-O-Ru",
"density": 4.939095335518074,
"density_atomic": 0.08643577357182479,
"volume": 57.84641929357169,
"volume_molar": 6.967185588957371,
"formula_full": "Na1 Ru1 O3",
"formula_reduced": "NaRuO3",
"formula_anonymous": "ABC3",
"energy": -33.05311469,
"energy_per_atom": -6.610622938000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.99211469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.226000Z",
"spacegroup": 221
},
{
"id": "mp-865234",
"created_at": "2022-09-04T14:39:12.580960Z",
"structure_string": "Ta1 Zn1 Ru2\n1.0\n0.000000 3.100300 3.100300\n3.100300 0.000000 3.100300\n3.100300 3.100300 0.000000\nTa Zn Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"Ru"
],
"chemical_system": "Ru-Ta-Zn",
"density": 12.495894994759993,
"density_atomic": 0.06711488258881947,
"volume": 59.59929967405399,
"volume_molar": 8.97288429586438,
"formula_full": "Ta1 Zn1 Ru2",
"formula_reduced": "TaZnRu2",
"formula_anonymous": "ABC2",
"energy": -33.05238189,
"energy_per_atom": -8.2630954725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.05238189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.819000Z",
"spacegroup": 225
},
{
"id": "mp-1184476",
"created_at": "2022-09-04T14:48:25.807433Z",
"structure_string": "Gd2 In1 Hg1\n1.0\n0.000000 3.675050 3.675050\n3.675050 0.000000 3.675050\n3.675050 3.675050 0.000000\nGd In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"In",
"Hg"
],
"chemical_system": "Gd-Hg-In",
"density": 10.53674499001647,
"density_atomic": 0.04029398674348142,
"volume": 99.27039549262527,
"volume_molar": 14.945507373936472,
"formula_full": "Gd2 In1 Hg1",
"formula_reduced": "Gd2InHg",
"formula_anonymous": "ABC2",
"energy": -33.04663914,
"energy_per_atom": -8.261659785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.04663914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0094654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.253000Z",
"spacegroup": 225
},
{
"id": "mp-1215696",
"created_at": "2022-09-04T14:42:17.762242Z",
"structure_string": "Zn2 In1 Cu1 S4\n1.0\n-2.754597 2.754597 5.513476\n2.754597 -2.754597 5.513476\n2.754597 2.754597 -5.513476\nZn In Cu S\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.364385 0.364385 0.471582 S\n0.107197 0.635615 0.000000 S\n0.892803 0.892803 0.528418 S\n0.635615 0.107197 0.000000 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"In",
"Cu",
"S"
],
"chemical_system": "Cu-In-S-Zn",
"density": 4.340781803511167,
"density_atomic": 0.04780665603801119,
"volume": 167.34071493390337,
"volume_molar": 12.596866752637503,
"formula_full": "Zn2 In1 Cu1 S4",
"formula_reduced": "Zn2InCuS4",
"formula_anonymous": "ABC2D4",
"energy": -33.0461131,
"energy_per_atom": -4.1307641375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.0341131,
"band_gap": 0.7250999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.326000Z",
"spacegroup": 121
},
{
"id": "mp-9911",
"created_at": "2022-09-04T14:44:15.246313Z",
"structure_string": "K3 Sb1 S4\n1.0\n-3.935485 3.935485 3.935485\n3.935485 -3.935485 3.935485\n3.935485 3.935485 -3.935485\nK Sb S\n3 1 4\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Sb\n0.000000 0.651258 0.000000 S\n0.651258 0.000000 0.000000 S\n0.000000 0.000000 0.651258 S\n0.348742 0.348742 0.348742 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sb",
"S"
],
"chemical_system": "K-S-Sb",
"density": 2.501686399711309,
"density_atomic": 0.03281218952271295,
"volume": 243.81183079728083,
"volume_molar": 18.353364550181603,
"formula_full": "K3 Sb1 S4",
"formula_reduced": "K3SbS4",
"formula_anonymous": "AB3C4",
"energy": -33.04549264,
"energy_per_atom": -4.13068658,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.03349264,
"band_gap": 2.1341,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.904000Z",
"spacegroup": 217
},
{
"id": "mp-1027927",
"created_at": "2022-09-04T14:47:46.727326Z",
"structure_string": "Hf1 Mg14 Zn1\n1.0\n6.400342 0.087361 0.000000\n-3.124515 5.411818 0.000000\n0.000000 0.000000 10.125439\nHf Mg Zn\n1 14 1\ndirect\n0.157033 0.828516 0.125000 Hf\n0.165482 0.332740 0.625000 Mg\n0.167125 0.833562 0.625000 Mg\n0.658079 0.333628 0.125000 Mg\n0.665750 0.330787 0.625000 Mg\n0.658079 0.824450 0.125000 Mg\n0.665750 0.834962 0.625000 Mg\n0.330976 0.164350 0.369690 Mg\n0.330976 0.164350 0.880309 Mg\n0.330976 0.666627 0.369690 Mg\n0.330976 0.666627 0.880309 Mg\n0.840590 0.170295 0.366272 Mg\n0.840590 0.170295 0.883728 Mg\n0.839226 0.669613 0.374766 Mg\n0.839226 0.669613 0.875234 Mg\n0.179167 0.339583 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Zn"
],
"chemical_system": "Hf-Mg-Zn",
"density": 2.7442162730097635,
"density_atomic": 0.04526376901933088,
"volume": 353.48359950243764,
"volume_molar": 13.30454995346966,
"formula_full": "Hf1 Mg14 Zn1",
"formula_reduced": "HfMg14Zn",
"formula_anonymous": "ABC14",
"energy": -33.04534924,
"energy_per_atom": -2.0653343275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.04534924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0282327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.335000Z",
"spacegroup": 38
},
{
"id": "mp-1212352",
"created_at": "2022-09-04T14:45:30.358900Z",
"structure_string": "Ho2 Fe1 As2 O1\n1.0\n3.212762 0.000000 0.000000\n0.000000 3.212762 0.000000\n0.000000 0.000000 14.906155\nHo Fe As O\n2 1 2 1\ndirect\n0.500000 0.500000 0.634336 Ho\n0.500000 0.500000 0.365664 Ho\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.165723 As\n0.500000 0.500000 0.834277 As\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-Ho-O",
"density": 5.952643296598718,
"density_atomic": 0.03899675847600502,
"volume": 153.85894198595614,
"volume_molar": 15.442670097068364,
"formula_full": "Ho2 Fe1 As2 O1",
"formula_reduced": "Ho2FeAs2O",
"formula_anonymous": "ABC2D2",
"energy": -33.04506782,
"energy_per_atom": -5.507511303333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.102067819999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5945726,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.226000Z",
"spacegroup": 123
},
{
"id": "mp-1110891",
"created_at": "2022-09-04T14:44:53.507359Z",
"structure_string": "K2 Na1 Sb1 Br6\n1.0\n0.000000 5.702007 5.702007\n5.702007 0.000000 5.702007\n5.702007 5.702007 0.000000\nK Na Sb 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 Sb\n0.754081 0.245919 0.245919 Br\n0.245919 0.245919 0.754081 Br\n0.245919 0.754081 0.754081 Br\n0.245919 0.754081 0.245919 Br\n0.754081 0.245919 0.754081 Br\n0.754081 0.754081 0.245919 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Sb",
"Br"
],
"chemical_system": "Br-K-Na-Sb",
"density": 3.1455894909296984,
"density_atomic": 0.026970361397107918,
"volume": 370.7773823554444,
"volume_molar": 22.328735871688263,
"formula_full": "K2 Na1 Sb1 Br6",
"formula_reduced": "K2NaSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.04473741,
"energy_per_atom": -3.3044737410000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.84073741,
"band_gap": 2.5456,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.481000Z",
"spacegroup": 225
},
{
"id": "mp-1110776",
"created_at": "2022-09-04T14:42:21.295434Z",
"structure_string": "K2 Rb1 Pr1 I6\n1.0\n0.000000 6.599338 6.599338\n6.599338 0.000000 6.599338\n6.599338 6.599338 0.000000\nK Rb Pr I\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 Rb\n0.000000 0.000000 0.000000 Pr\n0.763363 0.236637 0.236637 I\n0.236637 0.236637 0.763363 I\n0.236637 0.763363 0.763363 I\n0.236637 0.763363 0.236637 I\n0.763363 0.236637 0.763363 I\n0.763363 0.763363 0.236637 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Pr",
"I"
],
"chemical_system": "I-K-Pr-Rb",
"density": 3.079461148153591,
"density_atomic": 0.01739678064156004,
"volume": 574.8189970338823,
"volume_molar": 34.61640911660062,
"formula_full": "K2 Rb1 Pr1 I6",
"formula_reduced": "K2RbPrI6",
"formula_anonymous": "ABC2D6",
"energy": -33.04342727,
"energy_per_atom": -3.3043427270000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.76942727,
"band_gap": 3.1256000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005175,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.654000Z",
"spacegroup": 225
}
]
}