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_full&page=12124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=12122",
"results": [
{
"id": "mp-1096319",
"created_at": "2022-09-04T14:48:30.099178Z",
"structure_string": "Zr2 Tc1 Ag1\n1.0\n-5.142640 5.781079 8.260986\n5.142640 -5.781079 8.260986\n5.142640 5.781079 -8.260986\nZr Tc Ag\n2 1 1\ndirect\n0.000000 0.219665 0.219665 Zr\n0.000000 0.780335 0.780335 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ag"
],
"chemical_system": "Ag-Tc-Zr",
"density": 0.6563684560000945,
"density_atomic": 0.00407167481946148,
"volume": 982.3967230588026,
"volume_molar": 147.90328371057117,
"formula_full": "Zr2 Tc1 Ag1",
"formula_reduced": "Zr2TcAg",
"formula_anonymous": "ABC2",
"energy": -18.18206003,
"energy_per_atom": -4.5455150075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.18206003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003324,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:45.721000Z",
"spacegroup": 71
},
{
"id": "mp-1097650",
"created_at": "2022-09-04T14:48:12.229927Z",
"structure_string": "Zr2 Tc1 Au1\n1.0\n-5.049004 5.753572 8.134034\n5.049004 -5.753572 8.134034\n5.049004 5.753572 -8.134034\nZr Tc Au\n2 1 1\ndirect\n0.000000 0.224684 0.224684 Zr\n0.000000 0.775316 0.775316 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Au"
],
"chemical_system": "Au-Tc-Zr",
"density": 0.8387557757111946,
"density_atomic": 0.00423204960579354,
"volume": 945.1685052377761,
"volume_molar": 142.29844451151712,
"formula_full": "Zr2 Tc1 Au1",
"formula_reduced": "Zr2TcAu",
"formula_anonymous": "ABC2",
"energy": -19.53517311,
"energy_per_atom": -4.8837932775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.53517311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.806000Z",
"spacegroup": 71
},
{
"id": "mp-1188001",
"created_at": "2022-09-04T14:42:14.159417Z",
"structure_string": "Zr2 Tc1 Ir1\n1.0\n0.000000 3.300750 3.300750\n3.300750 0.000000 3.300750\n3.300750 3.300750 0.000000\nZr Tc Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Zr",
"density": 10.912761172373205,
"density_atomic": 0.05561502026425046,
"volume": 71.92301613834374,
"volume_molar": 10.82826317672144,
"formula_full": "Zr2 Tc1 Ir1",
"formula_reduced": "Zr2TcIr",
"formula_anonymous": "ABC2",
"energy": -39.09613913,
"energy_per_atom": -9.7740347825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.09613913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.637000Z",
"spacegroup": 225
},
{
"id": "mp-1097312",
"created_at": "2022-09-04T14:47:28.575570Z",
"structure_string": "Zr2 Tc1 Ir1\n1.0\n-4.590601 5.647918 7.901044\n4.590601 -5.647918 7.901044\n4.590601 5.647918 -7.901044\nZr Tc Ir\n2 1 1\ndirect\n0.000000 0.241902 0.241902 Zr\n0.000000 0.758098 0.758098 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Zr",
"density": 0.9578558166682255,
"density_atomic": 0.0048815482912881,
"volume": 819.4121539550549,
"volume_molar": 123.36538328930328,
"formula_full": "Zr2 Tc1 Ir1",
"formula_reduced": "Zr2TcIr",
"formula_anonymous": "ABC2",
"energy": -23.70277955,
"energy_per_atom": -5.9256948875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.70277955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.628000Z",
"spacegroup": 71
},
{
"id": "mp-1093638",
"created_at": "2022-09-04T14:47:14.322011Z",
"structure_string": "Zr2 Tc1 Mo1\n1.0\n-4.717041 5.613669 8.003516\n4.717041 -5.613669 8.003516\n4.717041 5.613669 -8.003516\nZr Tc Mo\n2 1 1\ndirect\n0.000000 0.254761 0.254761 Zr\n0.000000 0.745239 0.745239 Zr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Mo"
],
"chemical_system": "Mo-Tc-Zr",
"density": 0.7372717692086417,
"density_atomic": 0.00471848664046997,
"volume": 847.7294320794332,
"volume_molar": 127.62864915943014,
"formula_full": "Zr2 Tc1 Mo1",
"formula_reduced": "Zr2TcMo",
"formula_anonymous": "ABC2",
"energy": -23.00442292,
"energy_per_atom": -5.75110573,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.00442292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3366926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.567000Z",
"spacegroup": 71
},
{
"id": "mp-1097278",
"created_at": "2022-09-04T14:41:56.704078Z",
"structure_string": "Zr2 Tc1 Ni1\n1.0\n-4.494794 5.737850 8.106447\n4.494794 -5.737850 8.106447\n4.494794 5.737850 -8.106447\nZr Tc Ni\n2 1 1\ndirect\n0.000000 0.254763 0.254763 Zr\n0.000000 0.745237 0.745237 Zr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ni"
],
"chemical_system": "Ni-Tc-Zr",
"density": 0.6734112757460247,
"density_atomic": 0.004783111107420311,
"volume": 836.2757858153396,
"volume_molar": 125.90426240898967,
"formula_full": "Zr2 Tc1 Ni1",
"formula_reduced": "Zr2TcNi",
"formula_anonymous": "ABC2",
"energy": -20.69714845,
"energy_per_atom": -5.1742871125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.69714845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0877243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.733000Z",
"spacegroup": 71
},
{
"id": "mp-1188020",
"created_at": "2022-09-04T14:39:35.127282Z",
"structure_string": "Zr2 Tc1 Ni1\n1.0\n0.000000 3.267281 3.267281\n3.267281 0.000000 3.267281\n3.267281 3.267281 0.000000\nZr Tc Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ni"
],
"chemical_system": "Ni-Tc-Zr",
"density": 8.0731021684927,
"density_atomic": 0.05734169599503381,
"volume": 69.7572670390919,
"volume_molar": 10.502202028557997,
"formula_full": "Zr2 Tc1 Ni1",
"formula_reduced": "Zr2TcNi",
"formula_anonymous": "ABC2",
"energy": -34.79242383,
"energy_per_atom": -8.6981059575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.79242383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.884000Z",
"spacegroup": 225
},
{
"id": "mp-1188002",
"created_at": "2022-09-04T14:46:57.097801Z",
"structure_string": "Zr2 Tc1 Os1\n1.0\n0.000000 3.291284 3.291284\n3.291284 0.000000 3.291284\n3.291284 3.291284 0.000000\nZr Tc Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Os"
],
"chemical_system": "Os-Tc-Zr",
"density": 10.960917919952887,
"density_atomic": 0.056096261644329,
"volume": 71.3059994151032,
"volume_molar": 10.735369137755729,
"formula_full": "Zr2 Tc1 Os1",
"formula_reduced": "Zr2TcOs",
"formula_anonymous": "ABC2",
"energy": -40.62034188,
"energy_per_atom": -10.15508547,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.62034188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.088000Z",
"spacegroup": 225
},
{
"id": "mp-1093957",
"created_at": "2022-09-04T14:46:52.332322Z",
"structure_string": "Zr2 Tc1 Os1\n1.0\n-4.621890 5.825120 7.736628\n4.621890 -5.825120 7.736628\n4.621890 5.825120 -7.736628\nZr Tc Os\n2 1 1\ndirect\n0.000000 0.248695 0.248695 Zr\n0.000000 0.751305 0.751305 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Os"
],
"chemical_system": "Os-Tc-Zr",
"density": 0.9380733728856543,
"density_atomic": 0.004800912638090265,
"volume": 833.1749193401577,
"volume_molar": 125.43741604920189,
"formula_full": "Zr2 Tc1 Os1",
"formula_reduced": "Zr2TcOs",
"formula_anonymous": "ABC2",
"energy": -24.18911682,
"energy_per_atom": -6.047279205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.18911682,
"band_gap": 0.0186999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.007000Z",
"spacegroup": 71
},
{
"id": "mp-977578",
"created_at": "2022-09-04T14:43:53.871178Z",
"structure_string": "Zr2 Tc1 Pd1\n1.0\n0.000000 3.324152 3.324152\n3.324152 0.000000 3.324152\n3.324152 3.324152 0.000000\nZr Tc Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Pd"
],
"chemical_system": "Pd-Tc-Zr",
"density": 8.74458669618176,
"density_atomic": 0.054448682228179605,
"volume": 73.46366957490521,
"volume_molar": 11.060213973155214,
"formula_full": "Zr2 Tc1 Pd1",
"formula_reduced": "Zr2TcPd",
"formula_anonymous": "ABC2",
"energy": -34.73166037,
"energy_per_atom": -8.6829150925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.73166037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.554000Z",
"spacegroup": 225
},
{
"id": "mp-1097159",
"created_at": "2022-09-04T14:45:37.235024Z",
"structure_string": "Zr2 Tc1 Pt1\n1.0\n-4.689642 5.586542 7.923313\n4.689642 -5.586542 7.923313\n4.689642 5.586542 -7.923313\nZr Tc Pt\n2 1 1\ndirect\n0.000000 0.237593 0.237593 Zr\n0.000000 0.762407 0.762407 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Pt"
],
"chemical_system": "Pt-Tc-Zr",
"density": 0.9509972960478,
"density_atomic": 0.004817374713927463,
"volume": 830.3277692797366,
"volume_molar": 125.00876758848445,
"formula_full": "Zr2 Tc1 Pt1",
"formula_reduced": "Zr2TcPt",
"formula_anonymous": "ABC2",
"energy": -22.22500228,
"energy_per_atom": -5.55625057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.22500228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2453946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.505000Z",
"spacegroup": 71
},
{
"id": "mp-1188004",
"created_at": "2022-09-04T14:44:11.149119Z",
"structure_string": "Zr2 Tc1 Rh1\n1.0\n0.000000 3.301018 3.301018\n3.301018 0.000000 3.301018\n3.301018 3.301018 0.000000\nZr Tc Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Rh"
],
"chemical_system": "Rh-Tc-Zr",
"density": 8.848605984712282,
"density_atomic": 0.055601475701284396,
"volume": 71.94053664132515,
"volume_molar": 10.830900950099942,
"formula_full": "Zr2 Tc1 Rh1",
"formula_reduced": "Zr2TcRh",
"formula_anonymous": "ABC2",
"energy": -37.36322841,
"energy_per_atom": -9.3408071025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.36322841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011202,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.670000Z",
"spacegroup": 225
}
]
}