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=30",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=28",
"results": [
{
"id": "mp-1096434",
"created_at": "2022-09-04T14:46:09.250081Z",
"structure_string": "Mg2 Tl1 In1\n1.0\n-6.183680 6.317083 8.705062\n6.183680 -6.317083 8.705062\n6.183680 6.317083 -8.705062\nMg Tl In\n2 1 1\ndirect\n0.754124 0.000000 0.754124 Mg\n0.245876 0.000000 0.245876 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Tl",
"In"
],
"chemical_system": "In-Mg-Tl",
"density": 0.4490334713170104,
"density_atomic": 0.002940793576659503,
"volume": 1360.1770732047326,
"volume_molar": 204.7794448340931,
"formula_full": "Mg2 Tl1 In1",
"formula_reduced": "Mg2TlIn",
"formula_anonymous": "ABC2",
"energy": -3.16656153,
"energy_per_atom": -0.7916403825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.16656153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4873932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.574000Z",
"spacegroup": 71
},
{
"id": "mp-1096090",
"created_at": "2022-09-04T14:48:26.878226Z",
"structure_string": "Na1 Tl2 Hg1\n1.0\n-6.121396 6.522159 9.227826\n6.121396 -6.522159 9.227826\n6.121396 6.522159 -9.227826\nNa Tl Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.260110 0.260110 Tl\n0.000000 0.739890 0.739890 Tl\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 0.7125295517690775,
"density_atomic": 0.00271430561879035,
"volume": 1473.6734037277015,
"volume_molar": 221.86671678791316,
"formula_full": "Na1 Tl2 Hg1",
"formula_reduced": "NaTl2Hg",
"formula_anonymous": "ABC2",
"energy": -3.17600187,
"energy_per_atom": -0.7940004675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.17600187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9998662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:39.781000Z",
"spacegroup": 71
},
{
"id": "mp-153",
"created_at": "2022-09-04T14:45:54.713555Z",
"structure_string": "Mg2\n1.0\n1.601514 -2.773903 0.000000\n1.601514 2.773903 0.000000\n0.000000 0.000000 5.126691\nMg\n2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7720891684001192,
"density_atomic": 0.04390771616977905,
"volume": 45.550080360967776,
"volume_molar": 13.715449778152976,
"formula_full": "Mg2",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -3.18178778,
"energy_per_atom": -1.59089389,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.18178778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.196000Z",
"spacegroup": 194
},
{
"id": "mp-1093672",
"created_at": "2022-09-04T14:39:16.487110Z",
"structure_string": "Ba2 Cd1 In1\n1.0\n-6.792592 7.120712 9.734589\n6.792592 -7.120712 9.734589\n6.792592 7.120712 -9.734589\nBa Cd In\n2 1 1\ndirect\n0.736881 0.000000 0.736881 Ba\n0.263119 0.000000 0.263119 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"In"
],
"chemical_system": "Ba-Cd-In",
"density": 0.4425017791386481,
"density_atomic": 0.002123847989626484,
"volume": 1883.3739606305207,
"volume_molar": 283.5485773658924,
"formula_full": "Ba2 Cd1 In1",
"formula_reduced": "Ba2CdIn",
"formula_anonymous": "ABC2",
"energy": -3.18488725,
"energy_per_atom": -0.7962218125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.18488725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3096606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.551000Z",
"spacegroup": 71
},
{
"id": "mp-1063817",
"created_at": "2022-09-04T14:41:23.289345Z",
"structure_string": "Rb4\n1.0\n0.000000 7.671627 13.050748\n2.435135 0.000000 13.050748\n2.435135 7.671627 0.000000\nRb\n4\ndirect\n0.916997 0.916997 0.583003 Rb\n0.333003 0.333003 0.666997 Rb\n0.583003 0.583003 0.916997 Rb\n0.666997 0.666997 0.333003 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.1642217072195442,
"density_atomic": 0.008203214542958274,
"volume": 487.6137249675668,
"volume_molar": 73.41196220656535,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -3.19748225,
"energy_per_atom": -0.7993705625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.19748225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.146000Z",
"spacegroup": 70
},
{
"id": "mp-1039121",
"created_at": "2022-09-04T14:43:12.807365Z",
"structure_string": "Mg2 Cd2\n1.0\n2.356076 -4.080843 0.000000\n2.356076 4.080843 0.000000\n0.000000 0.000000 7.592237\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.375900 Mg\n0.666667 0.333333 0.875900 Mg\n0.333333 0.666667 0.999100 Cd\n0.666667 0.333333 0.499100 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.109993649185819,
"density_atomic": 0.027398138512793446,
"volume": 145.995320015344,
"volume_molar": 21.98010918584117,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -3.1985009,
"energy_per_atom": -0.799625225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.1985009,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.680000Z",
"spacegroup": 186
},
{
"id": "mp-1097370",
"created_at": "2022-09-04T14:44:12.980820Z",
"structure_string": "Ca2 Mg1 Ga1\n1.0\n-6.314174 6.412769 9.047189\n6.314174 -6.412769 9.047189\n6.314174 6.412769 -9.047189\nCa Mg Ga\n2 1 1\ndirect\n0.000000 0.273442 0.273442 Ca\n0.000000 0.726558 0.726558 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ga"
],
"chemical_system": "Ca-Ga-Mg",
"density": 0.19738837011759555,
"density_atomic": 0.00272975830075306,
"volume": 1465.3311975996253,
"volume_molar": 220.61076829910795,
"formula_full": "Ca2 Mg1 Ga1",
"formula_reduced": "Ca2MgGa",
"formula_anonymous": "ABC2",
"energy": -3.20607165,
"energy_per_atom": -0.8015179125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.20607165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0137885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.765000Z",
"spacegroup": 71
},
{
"id": "mp-1185885",
"created_at": "2022-09-04T14:45:31.361853Z",
"structure_string": "Mg1 Hg5\n1.0\n3.708060 0.000000 0.000000\n-1.854030 3.211274 0.000000\n0.000000 0.000000 13.158086\nMg Hg\n1 5\ndirect\n0.666668 0.333334 0.833334 Mg\n0.666668 0.333334 0.159667 Hg\n0.000000 0.000000 0.333333 Hg\n0.666668 0.333334 0.507000 Hg\n0.000000 0.000000 0.681853 Hg\n0.000000 0.000000 0.984813 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.887057704006876,
"density_atomic": 0.03829432457087819,
"volume": 156.68118101664703,
"volume_molar": 15.72593544208814,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy": -3.21242381,
"energy_per_atom": -0.5354039683333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.21242381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.734000Z",
"spacegroup": 187
},
{
"id": "mp-1095767",
"created_at": "2022-09-04T14:46:58.738599Z",
"structure_string": "Mg2 Hg1 Pb1\n1.0\n-5.579237 6.044697 9.049839\n5.579237 -6.044697 9.049839\n5.579237 6.044697 -9.049839\nMg Hg Pb\n2 1 1\ndirect\n0.000000 0.249307 0.249307 Mg\n0.000000 0.750693 0.750693 Mg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Pb"
],
"chemical_system": "Hg-Mg-Pb",
"density": 0.6207897572676656,
"density_atomic": 0.0032764971971288833,
"volume": 1220.8159382846734,
"volume_molar": 183.79813556004441,
"formula_full": "Mg2 Hg1 Pb1",
"formula_reduced": "Mg2HgPb",
"formula_anonymous": "ABC2",
"energy": -3.2177466,
"energy_per_atom": -0.80443665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.2177466,
"band_gap": 0.3986999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9999939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.336000Z",
"spacegroup": 71
},
{
"id": "mp-1096236",
"created_at": "2022-09-04T14:41:22.901171Z",
"structure_string": "Ba2 Ga1 Hg1\n1.0\n-6.824689 6.919959 9.552362\n6.824689 -6.919959 9.552362\n6.824689 6.919959 -9.552362\nBa Ga Hg\n2 1 1\ndirect\n0.231248 0.000000 0.231248 Ba\n0.768752 0.000000 0.768752 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Hg"
],
"chemical_system": "Ba-Ga-Hg",
"density": 0.5014898550690652,
"density_atomic": 0.0022166791735878113,
"volume": 1804.5010968031927,
"volume_molar": 271.6739901630803,
"formula_full": "Ba2 Ga1 Hg1",
"formula_reduced": "Ba2GaHg",
"formula_anonymous": "ABC2",
"energy": -3.2186426,
"energy_per_atom": -0.80466065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.2186426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6378864,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.568000Z",
"spacegroup": 71
},
{
"id": "mp-1093547",
"created_at": "2022-09-04T14:41:05.888961Z",
"structure_string": "Ba2 Ag1 Hg1\n1.0\n-6.749469 7.046744 9.541310\n6.749469 -7.046744 9.541310\n6.749469 7.046744 -9.541310\nBa Ag Hg\n2 1 1\ndirect\n0.764543 0.000000 0.764543 Ba\n0.235457 0.000000 0.235457 Ba\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Hg"
],
"chemical_system": "Ag-Ba-Hg",
"density": 0.5334271621972856,
"density_atomic": 0.002203605726012615,
"volume": 1815.2067553563352,
"volume_molar": 273.28576473146836,
"formula_full": "Ba2 Ag1 Hg1",
"formula_reduced": "Ba2AgHg",
"formula_anonymous": "ABC2",
"energy": -3.21890947,
"energy_per_atom": -0.8047273675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.21890947,
"band_gap": 0.1757000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0056708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.585000Z",
"spacegroup": 71
},
{
"id": "mp-1093660",
"created_at": "2022-09-04T14:48:28.490433Z",
"structure_string": "Li1 Mg2 In1\n1.0\n-5.866142 5.920438 8.479989\n5.866142 -5.920438 8.479989\n5.866142 5.920438 -8.479989\nLi Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.249155 0.249155 Mg\n0.000000 0.750845 0.750845 Mg\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"In"
],
"chemical_system": "In-Li-Mg",
"density": 0.24014745164841006,
"density_atomic": 0.0033954575245069133,
"volume": 1178.0444818201277,
"volume_molar": 177.35874227655174,
"formula_full": "Li1 Mg2 In1",
"formula_reduced": "LiMg2In",
"formula_anonymous": "ABC2",
"energy": -3.23244003,
"energy_per_atom": -0.8081100075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.23244003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5113065,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:21.962000Z",
"spacegroup": 71
}
]
}