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=formula_reduced&page=12181",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=12179",
"results": [
{
"id": "mp-1093893",
"created_at": "2022-09-04T14:40:19.243134Z",
"structure_string": "Zr1 Ta1 Tc2\n1.0\n-4.613603 5.680581 8.052778\n4.613603 -5.680581 8.052778\n4.613603 5.680581 -8.052778\nZr Ta Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ta\n0.000000 0.254319 0.254319 Tc\n0.000000 0.745681 0.745681 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Tc"
],
"chemical_system": "Ta-Tc-Zr",
"density": 0.9209068996670422,
"density_atomic": 0.004738286270902598,
"volume": 844.1870691865223,
"volume_molar": 127.09533396032741,
"formula_full": "Zr1 Ta1 Tc2",
"formula_reduced": "ZrTaTc2",
"formula_anonymous": "ABC2",
"energy": -25.17505195,
"energy_per_atom": -6.2937629875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.17505195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1944994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.734000Z",
"spacegroup": 71
},
{
"id": "mp-1215227",
"created_at": "2022-09-04T14:45:58.433180Z",
"structure_string": "Zr1 Ta1 Te4\n1.0\n1.916263 -3.319065 0.000000\n1.916263 3.319065 0.000000\n0.000000 0.000000 14.508207\nZr Ta Te\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.878030 Te\n0.333333 0.666667 0.371320 Te\n0.666667 0.333333 0.628680 Te\n0.666667 0.333333 0.121970 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Te"
],
"chemical_system": "Ta-Te-Zr",
"density": 7.041395284103146,
"density_atomic": 0.03251147247636091,
"volume": 184.55023851542254,
"volume_molar": 18.5231252271908,
"formula_full": "Zr1 Ta1 Te4",
"formula_reduced": "ZrTaTe4",
"formula_anonymous": "ABC4",
"energy": -38.1521282,
"energy_per_atom": -6.358688033333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.4641282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0739682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.411000Z",
"spacegroup": 164
},
{
"id": "mp-1095545",
"created_at": "2022-09-04T14:39:26.407866Z",
"structure_string": "Zr4 Tc8\n1.0\n2.610792 -4.522024 0.000000\n2.610792 4.522024 0.000000\n0.000000 0.000000 8.789225\nZr Tc\n4 8\ndirect\n0.333333 0.666667 0.437351 Zr\n0.666667 0.333333 0.562649 Zr\n0.666667 0.333333 0.937351 Zr\n0.333333 0.666667 0.062649 Zr\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.828616 0.171384 0.250000 Tc\n0.828616 0.657232 0.250000 Tc\n0.342768 0.171384 0.250000 Tc\n0.171384 0.828616 0.750000 Tc\n0.171384 0.342768 0.750000 Tc\n0.657232 0.828616 0.750000 Tc\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Tc"
],
"chemical_system": "Tc-Zr",
"density": 9.192721448454892,
"density_atomic": 0.05782232252443837,
"volume": 207.53230717995197,
"volume_molar": 10.414906384043578,
"formula_full": "Zr4 Tc8",
"formula_reduced": "ZrTc2",
"formula_anonymous": "AB2",
"energy": -120.85440380999998,
"energy_per_atom": -10.071200317499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.85440380999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072952,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.174000Z",
"spacegroup": 194
},
{
"id": "mp-977545",
"created_at": "2022-09-04T14:45:25.509354Z",
"structure_string": "Zr1 Tc2 W1\n1.0\n0.000000 3.206984 3.206984\n3.206984 0.000000 3.206984\n3.206984 3.206984 0.000000\nZr Tc W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.500000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"W"
],
"chemical_system": "Tc-W-Zr",
"density": 11.857923323758712,
"density_atomic": 0.06063726661484624,
"volume": 65.96603414542193,
"volume_molar": 9.931418575067429,
"formula_full": "Zr1 Tc2 W1",
"formula_reduced": "ZrTc2W",
"formula_anonymous": "ABC2",
"energy": -43.26659725,
"energy_per_atom": -10.8166493125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.26659725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.952000Z",
"spacegroup": 225
},
{
"id": "mp-631405",
"created_at": "2022-09-04T14:48:20.731665Z",
"structure_string": "Zr1 Tc1 Cl1\n1.0\n0.000000 2.994616 2.994616\n2.994616 0.000000 2.994616\n2.994616 2.994616 0.000000\nZr Tc Cl\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750000 0.750000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Cl"
],
"chemical_system": "Cl-Tc-Zr",
"density": 6.946312160005819,
"density_atomic": 0.05585574349609993,
"volume": 53.70978546207109,
"volume_molar": 10.781596274733126,
"formula_full": "Zr1 Tc1 Cl1",
"formula_reduced": "ZrTcCl",
"formula_anonymous": "ABC",
"energy": -19.52456026,
"energy_per_atom": -6.508186753333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.91056026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.971000Z",
"spacegroup": 216
},
{
"id": "mp-1319",
"created_at": "2022-09-04T14:46:53.776428Z",
"structure_string": "Zr2 Te2\n1.0\n1.867965 -3.235410 0.000000\n1.867965 3.235410 0.000000\n0.000000 0.000000 8.155712\nZr Te\n2 2\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.371979359268993,
"density_atomic": 0.04057607702690243,
"volume": 98.58025450188178,
"volume_molar": 14.841604219173895,
"formula_full": "Zr2 Te2",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy": -26.72325756,
"energy_per_atom": -6.68081439,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.87925756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.871000Z",
"spacegroup": 194
},
{
"id": "mp-568865",
"created_at": "2022-09-04T14:40:16.616020Z",
"structure_string": "Zr4 Te4\n1.0\n3.803978 0.000000 0.000000\n0.000000 7.009676 0.000000\n0.000000 0.000000 7.450959\nZr Te\n4 4\ndirect\n0.750000 0.310854 0.991738 Zr\n0.750000 0.189146 0.491738 Zr\n0.250000 0.689146 0.008262 Zr\n0.250000 0.810854 0.508262 Zr\n0.250000 0.426704 0.709027 Te\n0.750000 0.573296 0.290973 Te\n0.250000 0.073296 0.209027 Te\n0.750000 0.926704 0.790973 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.31570065291428,
"density_atomic": 0.04026631366312522,
"volume": 198.67723842140978,
"volume_molar": 14.955778694772624,
"formula_full": "Zr4 Te4",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy": -55.440158870000005,
"energy_per_atom": -6.930019858750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.75215887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.65e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.537000Z",
"spacegroup": 62
},
{
"id": "mp-1539",
"created_at": "2022-09-04T14:41:50.248124Z",
"structure_string": "Zr1 Te1\n1.0\n1.899713 -3.290400 0.000000\n1.899713 3.290400 0.000000\n0.000000 0.000000 3.898569\nZr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.455420404866777,
"density_atomic": 0.04103534449475338,
"volume": 48.73847227615482,
"volume_molar": 14.675497023718098,
"formula_full": "Zr1 Te1",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy": -13.90824934,
"energy_per_atom": -6.95412467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.48624934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049843,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.728000Z",
"spacegroup": 187
},
{
"id": "mp-569544",
"created_at": "2022-09-04T14:40:40.371047Z",
"structure_string": "Zr2 Te2\n1.0\n1.875152 -3.247859 0.000000\n1.875152 3.247859 0.000000\n0.000000 0.000000 7.936423\nZr Te\n2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.517710520234709,
"density_atomic": 0.04137819522669499,
"volume": 96.66927177673072,
"volume_molar": 14.553899045154195,
"formula_full": "Zr2 Te2",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy": -27.59620417,
"energy_per_atom": -6.8990510425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.75220417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0105489,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.953000Z",
"spacegroup": 194
},
{
"id": "mp-1018107",
"created_at": "2022-09-04T14:40:14.725061Z",
"structure_string": "Zr1 Te2\n1.0\n1.992100 -3.450418 0.000000\n1.992100 3.450418 0.000000\n0.000000 0.000000 6.995566\nZr Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.743282 Te\n0.333333 0.666667 0.256718 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 5.981655114979786,
"density_atomic": 0.031195040550854577,
"volume": 96.16913288217592,
"volume_molar": 19.30480183278693,
"formula_full": "Zr1 Te2",
"formula_reduced": "ZrTe2",
"formula_anonymous": "AB2",
"energy": -18.320547360000003,
"energy_per_atom": -6.106849120000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.47654736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002235,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.636000Z",
"spacegroup": 164
},
{
"id": "mp-28671",
"created_at": "2022-09-04T14:40:11.024873Z",
"structure_string": "Zr2 Te4 Br10\n1.0\n5.718079 7.285998 0.000000\n-5.718079 7.285998 0.000000\n0.000000 6.309848 7.639935\nZr Te Br\n2 4 10\ndirect\n0.812229 0.187771 0.000000 Zr\n0.187771 0.812229 0.000000 Zr\n0.331490 0.668510 0.500000 Te\n0.668510 0.331490 0.500000 Te\n0.557450 0.557450 0.631052 Te\n0.442550 0.442550 0.368948 Te\n0.164049 0.506956 0.085196 Br\n0.493044 0.835951 0.914804 Br\n0.835951 0.493044 0.914804 Br\n0.506956 0.164049 0.085196 Br\n0.256732 0.910286 0.670901 Br\n0.089714 0.743268 0.329099 Br\n0.850535 0.850535 0.080197 Br\n0.149465 0.149465 0.919803 Br\n0.910286 0.256732 0.670901 Br\n0.743268 0.089714 0.329099 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Te",
"Br"
],
"chemical_system": "Br-Te-Zr",
"density": 3.891584455463993,
"density_atomic": 0.025133971856687348,
"volume": 636.5886017232453,
"volume_molar": 23.960163536181014,
"formula_full": "Zr2 Te4 Br10",
"formula_reduced": "ZrTe2Br5",
"formula_anonymous": "AB2C5",
"energy": -66.32081342,
"energy_per_atom": -4.14505083875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.98081342,
"band_gap": 1.1062,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.856000Z",
"spacegroup": 12
},
{
"id": "mp-2089",
"created_at": "2022-09-04T14:39:06.118221Z",
"structure_string": "Zr2 Te6\n1.0\n3.950031 0.000000 0.000000\n0.000000 5.986970 0.000000\n0.000000 1.243792 10.352691\nZr Te\n2 6\ndirect\n0.250000 0.716564 0.662825 Zr\n0.750000 0.283436 0.337175 Zr\n0.250000 0.556582 0.174931 Te\n0.750000 0.443418 0.825069 Te\n0.250000 0.082112 0.172429 Te\n0.750000 0.917888 0.827571 Te\n0.250000 0.237835 0.555030 Te\n0.750000 0.762165 0.444970 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 6.430112720356544,
"density_atomic": 0.03267601971042435,
"volume": 244.82786064203003,
"volume_molar": 18.429847984449612,
"formula_full": "Zr2 Te6",
"formula_reduced": "ZrTe3",
"formula_anonymous": "AB3",
"energy": -44.220356370000005,
"energy_per_atom": -5.527544546250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.68835637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.12e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.682000Z",
"spacegroup": 11
}
]
}