HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=831",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=829",
"results": [
{
"id": "jvasp-104690",
"created_at": "2022-09-04T14:36:46.837992Z",
"updated_at": "2022-09-04T14:36:46.838010Z",
"structure_string": "Ta1 Fe1 Pb2 O6\n1.0\n4.827707 -0.000000 2.787278\n1.609236 4.551606 2.787278\n-0.000000 -0.000000 5.574556\nTa Fe Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500000 0.500000 Fe\n0.750001 0.750001 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.254173 0.745828 0.745827 O\n0.745828 0.254173 0.254173 O\n0.745828 0.254173 0.745828 O\n0.254173 0.745828 0.254173 O\n0.745828 0.745828 0.254173 O\n0.254173 0.254173 0.745828 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ta",
"Fe",
"Pb",
"O"
],
"chemical_system": "Fe-O-Pb-Ta",
"density": 10.128937275397362,
"density_atomic": 0.0816364576894537,
"volume": 122.49429094584369,
"volume_molar": 7.376778623722641,
"formula_full": "Ta1 Fe1 Pb2 O6",
"formula_reduced": "TaFe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.815999734,
"spacegroup": 225
},
{
"id": "jvasp-23562",
"created_at": "2022-09-04T14:37:33.433590Z",
"updated_at": "2022-09-04T14:37:33.433622Z",
"structure_string": "Ta4 Fe4 P4\n1.0\n3.598646 -0.000000 0.000000\n0.000000 6.134760 0.000000\n0.000000 0.000000 6.951997\nTa Fe P\n4 4 4\ndirect\n0.250000 0.522015 0.676237 Ta\n0.250000 0.022015 0.823763 Ta\n0.750001 0.977985 0.176237 Ta\n0.750001 0.477985 0.323763 Ta\n0.750001 0.357882 0.936531 Fe\n0.250000 0.142118 0.436530 Fe\n0.750001 0.857882 0.563470 Fe\n0.250000 0.642118 0.063470 Fe\n0.250000 0.777003 0.380756 P\n0.250000 0.277003 0.119244 P\n0.750001 0.222997 0.619244 P\n0.750001 0.722997 0.880757 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"P"
],
"chemical_system": "Fe-P-Ta",
"density": 11.588288018024391,
"density_atomic": 0.07818707488897847,
"volume": 153.47805269655333,
"volume_molar": 7.702220307577848,
"formula_full": "Ta4 Fe4 P4",
"formula_reduced": "TaFeP",
"formula_anonymous": "ABC",
"energy_above_hull": 3.615836733333334,
"spacegroup": 62
},
{
"id": "jvasp-46357",
"created_at": "2022-09-04T14:38:02.656878Z",
"updated_at": "2022-09-04T14:38:02.656889Z",
"structure_string": "Ta2 Fe2 O8\n1.0\n0.000000 4.673026 0.006553\n5.678883 0.000000 0.000000\n0.000000 -0.014900 -5.034771\nTa Fe O\n2 2 8\ndirect\n-0.000000 0.179650 0.750000 Ta\n-0.000000 0.820349 0.250000 Ta\n0.500000 0.667929 0.750000 Fe\n0.500000 0.332070 0.250000 Fe\n0.731467 0.383898 0.917516 O\n0.773980 0.113382 0.420828 O\n0.731467 0.616101 0.417516 O\n0.773980 0.886618 0.920828 O\n0.226021 0.113382 0.079172 O\n0.268534 0.383898 0.582484 O\n0.226021 0.886618 0.579172 O\n0.268534 0.616101 0.082485 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ta",
"density": 7.476599917996479,
"density_atomic": 0.08981362135119232,
"volume": 133.6100228391547,
"volume_molar": 6.70515303736837,
"formula_full": "Ta2 Fe2 O8",
"formula_reduced": "TaFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.27126645,
"spacegroup": 13
},
{
"id": "jvasp-47467",
"created_at": "2022-09-04T14:36:06.717715Z",
"updated_at": "2022-09-04T14:36:06.717736Z",
"structure_string": "Ta2 Fe2 O8\n1.0\n0.000000 4.645748 2.915481\n0.000000 4.645748 -2.915481\n-4.645748 0.000000 -2.915481\nTa Fe O\n2 2 8\ndirect\n0.265612 0.234389 0.500000 Ta\n0.015612 0.984389 0.000000 Ta\n0.748554 0.751446 0.500000 Fe\n0.498554 0.501446 0.000000 Fe\n0.547126 0.257058 0.804184 O\n0.040143 0.750025 0.790168 O\n0.499975 0.790192 0.709833 O\n-0.007057 0.311240 0.695817 O\n-0.007057 0.702875 0.304184 O\n0.499975 0.209858 0.290168 O\n0.938760 0.257058 0.195816 O\n0.459808 0.750025 0.209832 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ta",
"density": 7.937644994686473,
"density_atomic": 0.09535198483162888,
"volume": 125.84950403695763,
"volume_molar": 6.315695232389558,
"formula_full": "Ta2 Fe2 O8",
"formula_reduced": "TaFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.273818116666667,
"spacegroup": 109
},
{
"id": "jvasp-46361",
"created_at": "2022-09-04T14:37:06.404269Z",
"updated_at": "2022-09-04T14:37:06.404289Z",
"structure_string": "Ta4 Fe4 O16\n1.0\n4.549039 -0.000000 0.000000\n-0.000000 4.792800 0.000000\n0.000000 0.000000 11.342695\nTa Fe O\n4 4 16\ndirect\n0.000000 0.750000 0.173115 Ta\n0.000000 0.250000 0.826885 Ta\n0.500000 0.750000 0.673115 Ta\n0.500000 0.250000 0.326885 Ta\n0.000000 0.750000 0.440353 Fe\n0.000000 0.250000 0.559646 Fe\n0.500000 0.250000 0.059647 Fe\n0.500000 0.750000 0.940353 Fe\n0.237212 0.075945 0.440339 O\n0.237212 0.575945 0.559661 O\n0.262788 0.075945 0.940339 O\n0.262788 0.575945 0.059661 O\n0.272491 0.581160 0.813581 O\n0.272491 0.081160 0.186419 O\n0.727510 0.918840 0.813581 O\n0.762788 0.924055 0.559661 O\n0.737213 0.424055 0.940339 O\n0.737213 0.924055 0.059661 O\n0.227509 0.581160 0.313581 O\n0.762788 0.424055 0.440339 O\n0.772491 0.418840 0.686418 O\n0.772491 0.918840 0.313581 O\n0.727510 0.418840 0.186419 O\n0.227509 0.081160 0.686418 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ta",
"density": 8.078820420303858,
"density_atomic": 0.09704787285018836,
"volume": 247.30062901067922,
"volume_molar": 6.205329991411873,
"formula_full": "Ta4 Fe4 O16",
"formula_reduced": "TaFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.271019783333333,
"spacegroup": 60
},
{
"id": "jvasp-90009",
"created_at": "2022-09-04T14:36:21.747325Z",
"updated_at": "2022-09-04T14:36:21.747357Z",
"structure_string": "Ta3 Fe3 B3\n1.0\n0.000000 0.000000 -3.200757\n-2.985737 -5.171448 0.000000\n-2.985658 5.171402 0.000000\nTa Fe B\n3 3 3\ndirect\n0.500000 0.588488 0.000000 Ta\n0.500000 0.411497 0.411510 Ta\n0.500000 -0.000011 0.588491 Ta\n0.000000 0.239218 0.000000 Fe\n0.000000 0.760769 0.760767 Fe\n0.000000 0.000002 0.239234 Fe\n0.000000 0.333318 0.666675 B\n0.000000 0.666643 0.333325 B\n0.500000 0.999980 0.000000 B\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"B"
],
"chemical_system": "B-Fe-Ta",
"density": 12.47926661600023,
"density_atomic": 0.09105499498120925,
"volume": 98.84136506577484,
"volume_molar": 6.613740148184919,
"formula_full": "Ta3 Fe3 B3",
"formula_reduced": "TaFeB",
"formula_anonymous": "ABC",
"energy_above_hull": 4.121579094444445,
"spacegroup": 189
},
{
"id": "jvasp-107988",
"created_at": "2022-09-04T14:36:05.447632Z",
"updated_at": "2022-09-04T14:36:05.447650Z",
"structure_string": "Ta1 Fe2 Ge1\n1.0\n3.622404 -0.000000 2.091396\n1.207468 3.415235 2.091396\n-0.000000 -0.000000 4.182792\nTa Fe Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Fe\n0.749999 0.750001 0.750001 Fe\n0.499999 0.500001 0.500001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Ta",
"density": 11.721649339599903,
"density_atomic": 0.07729942178467074,
"volume": 51.74682950595163,
"volume_molar": 7.790667279214049,
"formula_full": "Ta1 Fe2 Ge1",
"formula_reduced": "TaFe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5306865375000003,
"spacegroup": 225
},
{
"id": "jvasp-80853",
"created_at": "2022-09-04T14:37:19.533902Z",
"updated_at": "2022-09-04T14:37:19.533927Z",
"structure_string": "Ta1 Fe2 Ge1\n1.0\n-9.822869 2.282015 -1.944721\n-7.044803 0.516105 0.795554\n-5.884307 3.798484 -1.214484\nTa Fe Ge\n1 2 1\ndirect\n0.500000 0.000000 -0.000001 Ta\n0.750476 -0.000303 -0.000305 Fe\n0.249525 0.000303 0.000303 Fe\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Ta",
"density": 11.716987344841913,
"density_atomic": 0.07726867786044002,
"volume": 51.76741871039466,
"volume_molar": 7.793767056396358,
"formula_full": "Ta1 Fe2 Ge1",
"formula_reduced": "TaFe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5368690375,
"spacegroup": 139
},
{
"id": "jvasp-56996",
"created_at": "2022-09-04T14:37:00.021440Z",
"updated_at": "2022-09-04T14:37:00.021477Z",
"structure_string": "Ta4 Fe8\n1.0\n2.373697 -4.111364 0.000000\n2.373697 4.111364 -0.000000\n0.000000 0.000000 7.832514\nTa Fe\n4 8\ndirect\n0.666667 0.333334 0.566265 Ta\n0.333334 0.666667 0.066265 Ta\n0.333334 0.666667 0.433735 Ta\n0.666667 0.333334 0.933734 Ta\n0.341416 0.170708 0.250000 Fe\n0.170708 0.341416 0.750000 Fe\n0.170709 0.829292 0.750000 Fe\n0.829292 0.170709 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.658585 0.829293 0.750000 Fe\n0.829293 0.658585 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Fe"
],
"chemical_system": "Fe-Ta",
"density": 12.714440258902481,
"density_atomic": 0.07849443375223525,
"volume": 152.8770821874778,
"volume_molar": 7.672060899259,
"formula_full": "Ta4 Fe8",
"formula_reduced": "TaFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.9383267333333336,
"spacegroup": 194
},
{
"id": "jvasp-30603",
"created_at": "2022-09-04T14:37:30.499345Z",
"updated_at": "2022-09-04T14:37:30.499359Z",
"structure_string": "Ta1 F5\n1.0\n3.485417 -0.000000 1.281730\n1.025793 4.601362 2.590379\n0.052927 1.231841 5.235896\nTa F\n1 5\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.766691 0.233309 F\n0.500001 0.233308 0.766692 F\n0.793441 0.206560 0.206560 F\n0.206560 0.793440 0.793441 F\n0.000000 0.500000 0.500001 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"F"
],
"chemical_system": "F-Ta",
"density": 6.178881202417404,
"density_atomic": 0.08090912454312445,
"volume": 74.15727254349426,
"volume_molar": 7.443092227243428,
"formula_full": "Ta1 F5",
"formula_reduced": "TaF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.606073435416666,
"spacegroup": 71
},
{
"id": "jvasp-30690",
"created_at": "2022-09-04T14:38:35.570404Z",
"updated_at": "2022-09-04T14:38:35.570416Z",
"structure_string": "Ta2 F10\n1.0\n3.627452 0.000000 0.000000\n-1.813726 5.439101 -0.000000\n0.000000 0.000000 8.312659\nTa F\n2 10\ndirect\n0.500000 0.000000 0.500000 Ta\n0.500000 0.000000 0.000000 Ta\n0.470125 0.940251 0.250000 F\n0.529874 0.059749 0.750000 F\n0.076421 0.152842 0.585336 F\n0.923577 0.847157 0.414665 F\n0.338743 0.677489 0.915562 F\n0.661255 0.322511 0.084438 F\n0.661255 0.322511 0.415562 F\n0.338743 0.677489 0.584438 F\n0.076421 0.152842 0.914665 F\n0.923577 0.847157 0.085336 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"F"
],
"chemical_system": "F-Ta",
"density": 5.587593793469374,
"density_atomic": 0.07316653408959047,
"volume": 164.00940880029003,
"volume_molar": 8.230731214664411,
"formula_full": "Ta2 F10",
"formula_reduced": "TaF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5932517687499994,
"spacegroup": 63
},
{
"id": "jvasp-57126",
"created_at": "2022-09-04T14:38:17.959887Z",
"updated_at": "2022-09-04T14:38:17.959917Z",
"structure_string": "Ta4 F20\n1.0\n4.952666 -0.045752 -0.369131\n-0.866645 7.893702 -3.353128\n-0.047370 -0.019064 8.619888\nTa F\n4 20\ndirect\n0.500000 0.795595 0.204405 Ta\n0.759148 0.738550 0.738550 Ta\n0.240852 0.261450 0.261450 Ta\n0.500000 0.204406 0.795595 Ta\n0.858739 0.726827 0.531646 F\n0.920988 0.128015 0.128015 F\n0.373455 0.411396 0.831238 F\n0.379322 0.218564 0.026812 F\n0.158309 0.699912 0.074255 F\n0.620678 0.781436 0.973188 F\n0.373455 0.831237 0.411396 F\n0.626545 0.588604 0.168763 F\n0.841691 0.925745 0.300088 F\n0.620678 0.973188 0.781436 F\n0.841691 0.300088 0.925745 F\n0.079012 0.871985 0.871985 F\n0.858739 0.531647 0.726827 F\n0.390768 0.651257 0.651256 F\n0.379322 0.026813 0.218564 F\n0.141261 0.468354 0.273173 F\n0.609232 0.348744 0.348744 F\n0.141261 0.273173 0.468354 F\n0.626545 0.168763 0.588604 F\n0.158309 0.074256 0.699912 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ta",
"F"
],
"chemical_system": "F-Ta",
"density": 5.451889317036655,
"density_atomic": 0.07138955699210901,
"volume": 336.1836242050475,
"volume_molar": 8.43560460904058,
"formula_full": "Ta4 F20",
"formula_reduced": "TaF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5529501020833327,
"spacegroup": 12
}
]
}