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=-chemical_system&page=44",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=42",
"results": [
{
"id": "mp-680259",
"created_at": "2022-09-04T14:43:22.751217Z",
"structure_string": "Ta24 Te96\n1.0\n13.268653 0.000000 0.000000\n0.000000 13.268653 0.000000\n0.000000 0.000000 20.917904\nTa Te\n24 96\ndirect\n0.000000 0.000000 0.402946 Ta\n0.500000 0.000000 0.918163 Ta\n0.000000 0.000000 0.902946 Ta\n0.500000 0.500000 0.902946 Ta\n0.500000 0.500000 0.097054 Ta\n0.500000 0.000000 0.764633 Ta\n0.000000 0.500000 0.735367 Ta\n0.000000 0.500000 0.081837 Ta\n0.000000 0.000000 0.597054 Ta\n0.000000 0.500000 0.430349 Ta\n0.000000 0.500000 0.581837 Ta\n0.500000 0.000000 0.418163 Ta\n0.500000 0.000000 0.069651 Ta\n0.000000 0.500000 0.930349 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.500000 0.500000 0.402946 Ta\n0.500000 0.000000 0.264633 Ta\n0.500000 0.500000 0.597054 Ta\n0.500000 0.500000 0.250000 Ta\n0.000000 0.500000 0.235367 Ta\n0.000000 0.000000 0.097054 Ta\n0.500000 0.500000 0.750000 Ta\n0.500000 0.000000 0.569651 Ta\n0.078456 0.337421 0.502084 Te\n0.568645 0.833943 0.836931 Te\n0.577612 0.337273 0.831073 Te\n0.058886 0.154565 0.000621 Te\n0.078456 0.662579 0.002084 Te\n0.931355 0.333943 0.663069 Te\n0.337273 0.577612 0.668927 Te\n0.072852 0.836086 0.830264 Te\n0.663914 0.427148 0.330264 Te\n0.562835 0.847763 0.167487 Te\n0.163914 0.927148 0.669736 Te\n0.666057 0.068645 0.836931 Te\n0.652237 0.062835 0.167487 Te\n0.422388 0.337273 0.331073 Te\n0.333943 0.931355 0.836931 Te\n0.421544 0.837421 0.997916 Te\n0.152237 0.562835 0.832513 Te\n0.336086 0.572852 0.330264 Te\n0.058886 0.845435 0.500621 Te\n0.441114 0.345435 0.999379 Te\n0.937165 0.347763 0.332513 Te\n0.154565 0.941114 0.999379 Te\n0.162727 0.077612 0.831073 Te\n0.654565 0.558886 0.500621 Te\n0.337421 0.921544 0.497916 Te\n0.837273 0.922388 0.831073 Te\n0.345435 0.558886 0.000621 Te\n0.577612 0.662727 0.331073 Te\n0.837421 0.421544 0.502084 Te\n0.427148 0.663914 0.169736 Te\n0.345435 0.441114 0.500621 Te\n0.927148 0.836086 0.330264 Te\n0.837421 0.578456 0.002084 Te\n0.068645 0.666057 0.663069 Te\n0.166057 0.431355 0.663069 Te\n0.163914 0.072852 0.169736 Te\n0.441114 0.654565 0.499379 Te\n0.845435 0.058886 0.999379 Te\n0.662727 0.577612 0.168927 Te\n0.663914 0.572852 0.830264 Te\n0.558886 0.345435 0.499379 Te\n0.336086 0.427148 0.830264 Te\n0.836086 0.927148 0.169736 Te\n0.068645 0.333943 0.163069 Te\n0.662579 0.921544 0.997916 Te\n0.654565 0.441114 0.000621 Te\n0.062835 0.347763 0.832513 Te\n0.347763 0.062835 0.667487 Te\n0.941114 0.154565 0.500621 Te\n0.162727 0.922388 0.331073 Te\n0.558886 0.654565 0.999379 Te\n0.833943 0.431355 0.163069 Te\n0.937165 0.652237 0.832513 Te\n0.162579 0.421544 0.002084 Te\n0.833943 0.568645 0.663069 Te\n0.337273 0.422388 0.168927 Te\n0.162579 0.578456 0.502084 Te\n0.437165 0.847763 0.667487 Te\n0.922388 0.837273 0.668927 Te\n0.847763 0.437165 0.832513 Te\n0.666057 0.931355 0.336931 Te\n0.437165 0.152237 0.167487 Te\n0.662727 0.422388 0.668927 Te\n0.927148 0.163914 0.830264 Te\n0.427148 0.336086 0.669736 Te\n0.347763 0.937165 0.167487 Te\n0.568645 0.166057 0.336931 Te\n0.333943 0.068645 0.336931 Te\n0.652237 0.937165 0.667487 Te\n0.422388 0.662727 0.831073 Te\n0.572852 0.336086 0.169736 Te\n0.837273 0.077612 0.331073 Te\n0.062835 0.652237 0.332513 Te\n0.662579 0.078456 0.497916 Te\n0.941114 0.845435 0.000621 Te\n0.931355 0.666057 0.163069 Te\n0.847763 0.562835 0.332513 Te\n0.421544 0.162579 0.497916 Te\n0.578456 0.837421 0.497916 Te\n0.077612 0.162727 0.668927 Te\n0.166057 0.568645 0.163069 Te\n0.431355 0.166057 0.836931 Te\n0.562835 0.152237 0.667487 Te\n0.572852 0.663914 0.669736 Te\n0.337421 0.078456 0.997916 Te\n0.845435 0.941114 0.499379 Te\n0.921544 0.337421 0.002084 Te\n0.921544 0.662579 0.502084 Te\n0.578456 0.162579 0.997916 Te\n0.152237 0.437165 0.332513 Te\n0.072852 0.163914 0.330264 Te\n0.431355 0.833943 0.336931 Te\n0.077612 0.837273 0.168927 Te\n0.922388 0.162727 0.168927 Te\n0.154565 0.058886 0.499379 Te\n0.836086 0.072852 0.669736 Te\n",
"nsites": 120,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 7.48143894074804,
"density_atomic": 0.03258437590356088,
"volume": 3682.746613136334,
"volume_molar": 18.481682073100224,
"formula_full": "Ta24 Te96",
"formula_reduced": "TaTe4",
"formula_anonymous": "AB4",
"energy": -658.57065128,
"energy_per_atom": -5.488088760666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -618.05865128,
"band_gap": 0.1585,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0192752,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.826000Z",
"spacegroup": 130
},
{
"id": "mp-601823",
"created_at": "2022-09-04T14:47:40.232045Z",
"structure_string": "Ta3 Te6\n1.0\n1.833719 7.641049 0.000000\n-1.833719 7.641049 0.000000\n0.000000 3.739748 8.913803\nTa Te\n3 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.362021 0.362021 0.287235 Ta\n0.637979 0.637979 0.712765 Ta\n0.354280 0.354280 0.014124 Te\n0.645720 0.645720 0.985876 Te\n0.707110 0.707110 0.383868 Te\n0.292890 0.292890 0.616132 Te\n0.007922 0.007922 0.694241 Te\n0.992078 0.992078 0.305759 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 8.698118519239312,
"density_atomic": 0.036029954396286715,
"volume": 249.79215629891416,
"volume_molar": 16.71426139973313,
"formula_full": "Ta3 Te6",
"formula_reduced": "TaTe2",
"formula_anonymous": "AB2",
"energy": -60.22335649,
"energy_per_atom": -6.6914840544444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.69135649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0266357,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.989000Z",
"spacegroup": 12
},
{
"id": "mp-22817",
"created_at": "2022-09-04T14:41:29.603517Z",
"structure_string": "Ta2 Te8\n1.0\n6.620745 0.000000 0.000000\n0.000000 6.620745 0.000000\n0.000000 0.000000 6.937902\nTa Te\n2 8\ndirect\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.321766 0.140890 0.500000 Te\n0.678234 0.859110 0.500000 Te\n0.321766 0.859110 0.000000 Te\n0.678234 0.140890 0.000000 Te\n0.140890 0.678234 0.500000 Te\n0.859110 0.321766 0.500000 Te\n0.859110 0.678234 0.000000 Te\n0.140890 0.321766 0.000000 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 7.549772152970993,
"density_atomic": 0.03288199178887449,
"volume": 304.1178303372567,
"volume_molar": 18.31440381916758,
"formula_full": "Ta2 Te8",
"formula_reduced": "TaTe4",
"formula_anonymous": "AB4",
"energy": -54.74012183,
"energy_per_atom": -5.474012183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.36412183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.87e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.257000Z",
"spacegroup": 124
},
{
"id": "mp-1183039",
"created_at": "2022-09-04T14:48:30.538220Z",
"structure_string": "Zr1 Ta1 Tc2\n1.0\n0.000000 3.239549 3.239549\n3.239549 0.000000 3.239549\n3.239549 3.239549 0.000000\nZr Ta Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Tc"
],
"chemical_system": "Ta-Tc-Zr",
"density": 11.433278089889834,
"density_atomic": 0.05882695050316527,
"volume": 67.99604544833196,
"volume_molar": 10.237043920330308,
"formula_full": "Zr1 Ta1 Tc2",
"formula_reduced": "ZrTaTc2",
"formula_anonymous": "ABC2",
"energy": -42.89279515,
"energy_per_atom": -10.7231987875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.89279515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:50.159000Z",
"spacegroup": 225
},
{
"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-972209",
"created_at": "2022-09-04T14:45:10.162776Z",
"structure_string": "Ta2 Tc1 W1\n1.0\n0.000000 3.218124 3.218124\n3.218124 0.000000 3.218124\n3.218124 3.218124 0.000000\nTa Tc W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Tc",
"W"
],
"chemical_system": "Ta-Tc-W",
"density": 16.036825896719588,
"density_atomic": 0.06000973003397119,
"volume": 66.65585727073962,
"volume_molar": 10.035273874071585,
"formula_full": "Ta2 Tc1 W1",
"formula_reduced": "Ta2TcW",
"formula_anonymous": "ABC2",
"energy": -48.17035597,
"energy_per_atom": -12.0425889925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.17035597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.97e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.244000Z",
"spacegroup": 225
},
{
"id": "mp-1093944",
"created_at": "2022-09-04T14:47:26.154034Z",
"structure_string": "Ta1 V1 Tc2\n1.0\n-4.560947 5.833641 7.890321\n4.560947 -5.833641 7.890321\n4.560947 5.833641 -7.890321\nTa V Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 V\n0.000000 0.246474 0.246474 Tc\n0.000000 0.753526 0.753526 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"V",
"Tc"
],
"chemical_system": "Ta-Tc-V",
"density": 0.8461185510809704,
"density_atomic": 0.004763329266099319,
"volume": 839.7487926077367,
"volume_molar": 126.42713580309595,
"formula_full": "Ta1 V1 Tc2",
"formula_reduced": "TaVTc2",
"formula_anonymous": "ABC2",
"energy": -25.83306156,
"energy_per_atom": -6.45826539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.83306156,
"band_gap": 0.0573000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0006983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.235000Z",
"spacegroup": 71
},
{
"id": "mp-1096731",
"created_at": "2022-09-04T14:41:44.997121Z",
"structure_string": "Ta2 V1 Tc1\n1.0\n-4.519503 5.464454 7.730340\n4.519503 -5.464454 7.730340\n4.519503 5.464454 -7.730340\nTa V Tc\n2 1 1\ndirect\n0.000000 0.253652 0.253652 Ta\n0.000000 0.746348 0.746348 Ta\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"V",
"Tc"
],
"chemical_system": "Ta-Tc-V",
"density": 1.1107993675255172,
"density_atomic": 0.005237981387394762,
"volume": 763.6529617356082,
"volume_molar": 114.97064068406816,
"formula_full": "Ta2 V1 Tc1",
"formula_reduced": "Ta2VTc",
"formula_anonymous": "ABC2",
"energy": -25.65696337,
"energy_per_atom": -6.4142408425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.65696337,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2335967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.633000Z",
"spacegroup": 71
},
{
"id": "mp-861912",
"created_at": "2022-09-04T14:47:07.366833Z",
"structure_string": "Ta1 Ti1 Tc2\n1.0\n0.000000 3.151827 3.151827\n3.151827 0.000000 3.151827\n3.151827 3.151827 0.000000\nTa Ti Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Tc"
],
"chemical_system": "Ta-Tc-Ti",
"density": 11.265013265433915,
"density_atomic": 0.06387676022191516,
"volume": 62.62058354405489,
"volume_molar": 9.427749214390955,
"formula_full": "Ta1 Ti1 Tc2",
"formula_reduced": "TaTiTc2",
"formula_anonymous": "ABC2",
"energy": -42.6091114,
"energy_per_atom": -10.65227785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.6091114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.105000Z",
"spacegroup": 225
},
{
"id": "mp-11572",
"created_at": "2022-09-04T14:39:48.586745Z",
"structure_string": "Ta1 Tc1\n1.0\n3.190821 0.000000 0.000000\n0.000000 3.190821 0.000000\n0.000000 0.000000 3.190821\nTa Tc\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Tc"
],
"chemical_system": "Ta-Tc",
"density": 14.258204444681578,
"density_atomic": 0.061563410469657034,
"volume": 32.48682918542576,
"volume_molar": 9.782012910035503,
"formula_full": "Ta1 Tc1",
"formula_reduced": "TaTc",
"formula_anonymous": "AB",
"energy": -23.21378663,
"energy_per_atom": -11.606893315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.21378663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016886,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.114000Z",
"spacegroup": 221
},
{
"id": "mp-1187380",
"created_at": "2022-09-04T14:43:13.663802Z",
"structure_string": "Tb1 Ta3\n1.0\n0.000000 3.441803 3.441803\n3.441803 0.000000 3.441803\n3.441803 3.441803 0.000000\nTb Ta\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ta"
],
"chemical_system": "Ta-Tb",
"density": 14.290757474463621,
"density_atomic": 0.04905372242679624,
"volume": 81.5432509932202,
"volume_molar": 12.276623387729545,
"formula_full": "Tb1 Ta3",
"formula_reduced": "TbTa3",
"formula_anonymous": "AB3",
"energy": -38.5574717,
"energy_per_atom": -9.639367925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.5574717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.592000Z",
"spacegroup": 225
},
{
"id": "mp-1217805",
"created_at": "2022-09-04T14:48:30.400982Z",
"structure_string": "Ta2\n1.0\n0.000000 0.000000 2.406720\n21.717152 0.000333 0.000000\n0.000333 21.717152 0.000000\nTa\n2\ndirect\n0.000000 0.818090 0.318090 Ta\n0.000000 0.181910 0.681910 Ta\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 0.5294211455763627,
"density_atomic": 0.0017619707183544225,
"volume": 1135.092643235231,
"volume_molar": 341.7843836601512,
"formula_full": "Ta2",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -13.42462527,
"energy_per_atom": -6.712312635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.42462527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4133939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.531000Z",
"spacegroup": 65
}
]
}