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=12154",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12152",
"results": [
{
"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-1187061",
"created_at": "2022-09-04T14:48:02.106162Z",
"structure_string": "Th6 Ta2\n1.0\n3.378072 -5.850993 0.000000\n3.378072 5.850993 0.000000\n0.000000 0.000000 5.772393\nTh Ta\n6 2\ndirect\n0.176367 0.352734 0.250000 Th\n0.647266 0.823633 0.250000 Th\n0.176367 0.823633 0.250000 Th\n0.823633 0.647266 0.750000 Th\n0.352734 0.176367 0.750000 Th\n0.823633 0.176367 0.750000 Th\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Ta"
],
"chemical_system": "Ta-Th",
"density": 12.765124367763907,
"density_atomic": 0.035059492044677454,
"volume": 228.18356837016745,
"volume_molar": 17.1769195980529,
"formula_full": "Th6 Ta2",
"formula_reduced": "Th3Ta",
"formula_anonymous": "AB3",
"energy": -65.80702322,
"energy_per_atom": -8.2258779025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.80702322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.493000Z",
"spacegroup": 194
},
{
"id": "mp-1187250",
"created_at": "2022-09-04T14:46:13.384103Z",
"structure_string": "Ta1 Ti3\n1.0\n4.133054 0.000000 0.000000\n0.000000 4.133054 0.000000\n0.000000 0.000000 4.133054\nTa Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ti"
],
"chemical_system": "Ta-Ti",
"density": 7.633364020731523,
"density_atomic": 0.056656110008514914,
"volume": 70.60138790677361,
"volume_molar": 10.62928739564881,
"formula_full": "Ta1 Ti3",
"formula_reduced": "TaTi3",
"formula_anonymous": "AB3",
"energy": -35.16438483,
"energy_per_atom": -8.7910962075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.16438483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0612014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.456000Z",
"spacegroup": 221
},
{
"id": "mp-1187256",
"created_at": "2022-09-04T14:47:03.381007Z",
"structure_string": "Ta1 Ti3\n1.0\n-1.997865 1.997865 4.397963\n1.997865 -1.997865 4.397963\n1.997865 1.997865 -4.397963\nTa Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ti"
],
"chemical_system": "Ta-Ti",
"density": 7.67512349620988,
"density_atomic": 0.056966055850240005,
"volume": 70.21725377153959,
"volume_molar": 10.571454649821307,
"formula_full": "Ta1 Ti3",
"formula_reduced": "TaTi3",
"formula_anonymous": "AB3",
"energy": -35.15431096,
"energy_per_atom": -8.78857774,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.15431096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.349000Z",
"spacegroup": 139
},
{
"id": "mp-1187253",
"created_at": "2022-09-04T14:45:10.973039Z",
"structure_string": "Ta1 Ti3\n1.0\n0.000000 3.266528 3.266528\n3.266528 0.000000 3.266528\n3.266528 3.266528 0.000000\nTa Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ti"
],
"chemical_system": "Ta-Ti",
"density": 7.731078105353957,
"density_atomic": 0.057381360358519755,
"volume": 69.70904793835366,
"volume_molar": 10.49494247325884,
"formula_full": "Ta1 Ti3",
"formula_reduced": "TaTi3",
"formula_anonymous": "AB3",
"energy": -35.1542721,
"energy_per_atom": -8.788568025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.1542721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1958281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.412000Z",
"spacegroup": 225
},
{
"id": "mp-1217887",
"created_at": "2022-09-04T14:41:56.731614Z",
"structure_string": "Ta1 Ti1\n1.0\n1.647183 -2.303194 0.000000\n1.647184 2.303194 0.000000\n0.000000 0.000000 4.659713\nTa Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Ti"
],
"chemical_system": "Ta-Ti",
"density": 10.746615063570298,
"density_atomic": 0.05656767481968106,
"volume": 35.35588136467223,
"volume_molar": 10.645904713595854,
"formula_full": "Ta1 Ti1",
"formula_reduced": "TaTi",
"formula_anonymous": "AB",
"energy": -19.63207368,
"energy_per_atom": -9.81603684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.63207368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0591736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.867000Z",
"spacegroup": 65
},
{
"id": "mp-1095927",
"created_at": "2022-09-04T14:41:05.613009Z",
"structure_string": "Ta2 Ti1 W1\n1.0\n-4.725457 5.494960 7.861796\n4.725457 -5.494960 7.861796\n4.725457 5.494960 -7.861796\nTa Ti W\n2 1 1\ndirect\n0.000000 0.251508 0.251508 Ta\n0.000000 0.748492 0.748492 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"W"
],
"chemical_system": "Ta-Ti-W",
"density": 1.2071323709504034,
"density_atomic": 0.004898576318161361,
"volume": 816.563781025538,
"volume_molar": 122.93655072134018,
"formula_full": "Ta2 Ti1 W1",
"formula_reduced": "Ta2TiW",
"formula_anonymous": "ABC2",
"energy": -24.99186065,
"energy_per_atom": -6.2479651625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.99186065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0018881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.096000Z",
"spacegroup": 71
},
{
"id": "mp-1187209",
"created_at": "2022-09-04T14:48:17.856448Z",
"structure_string": "Ta2 Ti1 W1\n1.0\n0.000000 3.256824 3.256824\n3.256824 0.000000 3.256824\n3.256824 3.256824 0.000000\nTa Ti 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 Ti\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"W"
],
"chemical_system": "Ta-Ti-W",
"density": 14.266983010646229,
"density_atomic": 0.05789580893480449,
"volume": 69.08962969157808,
"volume_molar": 10.401686876473965,
"formula_full": "Ta2 Ti1 W1",
"formula_reduced": "Ta2TiW",
"formula_anonymous": "ABC2",
"energy": -44.67165373,
"energy_per_atom": -11.1679134325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.67165373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0510882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:58.136000Z",
"spacegroup": 225
},
{
"id": "mp-1097266",
"created_at": "2022-09-04T14:43:04.938043Z",
"structure_string": "Ta1 Ti1 W2\n1.0\n-4.640663 5.922616 8.383615\n4.640663 -5.922616 8.383615\n4.640663 5.922616 -8.383615\nTa Ti W\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.248448 0.248448 W\n0.000000 0.751552 0.751552 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"W"
],
"chemical_system": "Ta-Ti-W",
"density": 1.0746595273603614,
"density_atomic": 0.0043398534754066406,
"volume": 921.6901037483076,
"volume_molar": 138.76368854678282,
"formula_full": "Ta1 Ti1 W2",
"formula_reduced": "TaTiW2",
"formula_anonymous": "ABC2",
"energy": -25.77720534,
"energy_per_atom": -6.444301335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.77720534,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1702725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.279000Z",
"spacegroup": 71
},
{
"id": "mp-981251",
"created_at": "2022-09-04T14:47:07.126572Z",
"structure_string": "Tm1 Ta3\n1.0\n0.000000 3.424714 3.424714\n3.424714 0.000000 3.424714\n3.424714 3.424714 0.000000\nTm Ta\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\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": [
"Tm",
"Ta"
],
"chemical_system": "Ta-Tm",
"density": 14.712641181650381,
"density_atomic": 0.049791713062096635,
"volume": 80.334653178361,
"volume_molar": 12.094664733646782,
"formula_full": "Tm1 Ta3",
"formula_reduced": "TmTa3",
"formula_anonymous": "AB3",
"energy": -38.66541795,
"energy_per_atom": -9.6663544875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.66541795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.902000Z",
"spacegroup": 225
},
{
"id": "mp-1187810",
"created_at": "2022-09-04T14:46:58.665704Z",
"structure_string": "U6 Ta2\n1.0\n2.975356 -5.153468 0.000000\n2.975356 5.153468 0.000000\n0.000000 0.000000 5.467919\nU Ta\n6 2\ndirect\n0.177338 0.354675 0.250000 U\n0.645325 0.822662 0.250000 U\n0.177338 0.822662 0.250000 U\n0.822662 0.645325 0.750000 U\n0.354675 0.177338 0.750000 U\n0.822662 0.177338 0.750000 U\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Ta"
],
"chemical_system": "Ta-U",
"density": 17.7267179365208,
"density_atomic": 0.04770889950878503,
"volume": 167.6835995457597,
"volume_molar": 12.622677995100464,
"formula_full": "U6 Ta2",
"formula_reduced": "U3Ta",
"formula_anonymous": "AB3",
"energy": -88.58628824,
"energy_per_atom": -11.07328603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.58628824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1034085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.739000Z",
"spacegroup": 194
},
{
"id": "mp-567276",
"created_at": "2022-09-04T14:40:14.148090Z",
"structure_string": "Ta2 V4\n1.0\n0.000000 3.562711 3.562711\n3.562711 0.000000 3.562711\n3.562711 3.562711 0.000000\nTa V\n2 4\ndirect\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ta\n0.625000 0.625000 0.125000 V\n0.625000 0.125000 0.625000 V\n0.125000 0.625000 0.625000 V\n0.625000 0.625000 0.625000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 10.385660894850238,
"density_atomic": 0.0663406115513584,
"volume": 90.44233780321767,
"volume_molar": 9.0776081485741,
"formula_full": "Ta2 V4",
"formula_reduced": "TaV2",
"formula_anonymous": "AB2",
"energy": -60.67684914,
"energy_per_atom": -10.11280819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.67684914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0853805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.311000Z",
"spacegroup": 227
}
]
}