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=592",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=590",
"results": [
{
"id": "jvasp-54941",
"created_at": "2022-09-04T14:38:32.953772Z",
"updated_at": "2022-09-04T14:38:32.953788Z",
"structure_string": "Ti4 Ga8\n1.0\n3.876743 0.000000 -0.617051\n-0.098214 3.875499 -0.617051\n0.012063 0.012372 12.562496\nTi Ga\n4 8\ndirect\n0.200747 0.450747 0.901495 Ti\n0.049252 0.299252 0.598505 Ti\n0.950747 0.700748 0.401495 Ti\n0.799252 0.549253 0.098505 Ti\n0.463997 0.213997 0.427995 Ga\n0.536002 0.786002 0.572005 Ga\n0.286002 0.036002 0.072005 Ga\n0.713997 0.963997 0.927996 Ga\n0.125572 0.875572 0.751144 Ga\n0.375572 0.625572 0.251144 Ga\n0.874427 0.124428 0.248857 Ga\n0.624427 0.374427 0.748857 Ga\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 6.5897699153046565,
"density_atomic": 0.0635586243662085,
"volume": 188.80207241206284,
"volume_molar": 9.474938798709626,
"formula_full": "Ti4 Ga8",
"formula_reduced": "TiGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7355209944444447,
"spacegroup": 141
},
{
"id": "jvasp-15050",
"created_at": "2022-09-04T14:36:43.371390Z",
"updated_at": "2022-09-04T14:36:43.371413Z",
"structure_string": "Ti2 Ga2\n1.0\n3.973224 0.000000 0.000000\n0.000000 3.973224 -0.000000\n0.000000 -0.000000 3.951762\nTi Ga\n2 2\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 6.259975052867073,
"density_atomic": 0.06411846404538096,
"volume": 62.38452619777246,
"volume_molar": 9.392209950222334,
"formula_full": "Ti2 Ga2",
"formula_reduced": "TiGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.9003703291666667,
"spacegroup": 123
},
{
"id": "jvasp-40788",
"created_at": "2022-09-04T14:37:39.715214Z",
"updated_at": "2022-09-04T14:37:39.715239Z",
"structure_string": "Ti1 Fe1 Te1\n1.0\n3.604170 -0.000002 2.080868\n1.201388 3.398045 2.080868\n-0.000000 0.000000 4.161736\nTi Fe Te\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Te"
],
"chemical_system": "Fe-Te-Ti",
"density": 7.535954287222062,
"density_atomic": 0.0588589145754565,
"volume": 50.9693395068309,
"volume_molar": 10.231484565145488,
"formula_full": "Ti1 Fe1 Te1",
"formula_reduced": "TiFeTe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2435438666666663,
"spacegroup": 216
},
{
"id": "jvasp-18249",
"created_at": "2022-09-04T14:37:27.237687Z",
"updated_at": "2022-09-04T14:37:27.237721Z",
"structure_string": "Ti1 Fe1 Sn1\n1.0\n3.786169 -0.000000 2.185946\n1.262057 3.569634 2.185946\n-0.000000 -0.000000 4.371891\nTi Fe Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Fe\n0.500001 0.499999 0.500001 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Sn"
],
"chemical_system": "Fe-Sn-Ti",
"density": 6.250774454766208,
"density_atomic": 0.05077246446658558,
"volume": 59.08714559196477,
"volume_molar": 11.861036928714178,
"formula_full": "Ti1 Fe1 Sn1",
"formula_reduced": "TiFeSn",
"formula_anonymous": "ABC",
"energy_above_hull": 2.397285177777777,
"spacegroup": 216
},
{
"id": "jvasp-87082",
"created_at": "2022-09-04T14:36:06.874113Z",
"updated_at": "2022-09-04T14:36:06.874132Z",
"structure_string": "Ti6 Fe6 Si6\n1.0\n5.599768 0.000000 -2.730465\n-1.660106 5.862779 -3.404625\n0.010033 -0.012821 7.127945\nTi Fe Si\n6 6 6\ndirect\n0.036286 0.022421 0.544841 Ti\n0.105438 0.554969 0.609938 Ti\n0.916534 0.247047 0.994092 Ti\n0.491444 0.977579 0.455159 Ti\n0.922442 0.752953 0.005907 Ti\n0.495500 0.445032 0.390061 Ti\n0.743398 0.590112 0.246565 Fe\n0.496832 0.843546 0.753434 Fe\n0.251444 -0.000000 -0.000000 Fe\n0.251444 0.500000 0.000000 Fe\n0.743398 0.156454 0.246565 Fe\n0.496832 0.409889 0.753434 Fe\n0.828100 0.824597 0.665458 Si\n0.474737 0.219878 0.939757 Si\n0.828100 0.340863 0.665458 Si\n0.162642 0.659138 0.334542 Si\n0.162642 0.175403 0.334541 Si\n0.534979 0.780122 0.060243 Si\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Ti",
"density": 5.614784910187598,
"density_atomic": 0.07696585688945254,
"volume": 233.86993567620158,
"volume_molar": 7.824431512079065,
"formula_full": "Ti6 Fe6 Si6",
"formula_reduced": "TiFeSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8427241444444444,
"spacegroup": 46
},
{
"id": "jvasp-107280",
"created_at": "2022-09-04T14:36:44.104156Z",
"updated_at": "2022-09-04T14:36:44.104174Z",
"structure_string": "Ti1 Fe2 Se4\n1.0\n6.043449 -0.029875 2.901917\n5.048111 3.322762 2.901917\n0.006256 0.001857 6.128285\nTi Fe Se\n1 2 4\ndirect\n0.255092 0.255092 0.691396 Ti\n0.001956 0.001957 0.995854 Fe\n0.741582 0.741580 0.310865 Fe\n0.638399 0.638397 0.034363 Se\n0.360463 0.360462 0.989778 Se\n0.893047 0.893044 0.437302 Se\n0.109465 0.109465 0.540442 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Ti",
"density": 6.370376038421712,
"density_atomic": 0.056488179032545396,
"volume": 123.91973187818611,
"volume_molar": 10.660886690169944,
"formula_full": "Ti1 Fe2 Se4",
"formula_reduced": "Ti(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5650132571428577,
"spacegroup": 8
},
{
"id": "jvasp-40775",
"created_at": "2022-09-04T14:37:48.018878Z",
"updated_at": "2022-09-04T14:37:48.018904Z",
"structure_string": "Ti1 Fe1 Se1\n1.0\n3.438027 -0.000000 1.984946\n1.146009 3.241403 1.984946\n0.000000 0.000000 3.969892\nTi Fe Se\n1 1 1\ndirect\n0.500001 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Ti",
"density": 6.8564620469420205,
"density_atomic": 0.06781101577124855,
"volume": 44.24059964121613,
"volume_molar": 8.880770611540303,
"formula_full": "Ti1 Fe1 Se1",
"formula_reduced": "TiFeSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.347335733333333,
"spacegroup": 216
},
{
"id": "jvasp-16336",
"created_at": "2022-09-04T14:38:16.098673Z",
"updated_at": "2022-09-04T14:38:16.098699Z",
"structure_string": "Ti1 Fe1 Sb1\n1.0\n3.642258 -0.000000 2.102858\n1.214086 3.433953 2.102858\n0.000000 0.000000 4.205717\nTi Fe Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.500001 0.500000 0.500001 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Ti",
"density": 7.117649798033485,
"density_atomic": 0.05703167885008684,
"volume": 52.60234417937764,
"volume_molar": 10.559290698472628,
"formula_full": "Ti1 Fe1 Sb1",
"formula_reduced": "TiFeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.500019977777778,
"spacegroup": 216
},
{
"id": "jvasp-43103",
"created_at": "2022-09-04T14:36:21.661672Z",
"updated_at": "2022-09-04T14:36:21.661698Z",
"structure_string": "Ti2 Fe2 P4 O16\n1.0\n0.000000 4.888121 -0.030594\n5.881626 0.000000 0.000000\n0.000000 -0.033294 -9.858214\nTi Fe P O\n2 2 4 16\ndirect\n0.552225 0.250000 0.227710 Ti\n0.447776 0.750000 0.772289 Ti\n0.053336 0.750000 0.271451 Fe\n0.946664 0.250000 0.728548 Fe\n0.588179 0.750000 0.092035 P\n0.126202 0.250000 0.407283 P\n0.873798 0.750000 0.592716 P\n0.411822 0.250000 0.907965 P\n0.272602 0.041304 0.835564 O\n0.272602 0.458696 0.835564 O\n0.719417 0.548736 0.665685 O\n0.719417 0.951265 0.665685 O\n0.177281 0.750000 0.632590 O\n0.158196 0.250000 0.559360 O\n0.841804 0.750000 0.440639 O\n0.727398 0.541304 0.164435 O\n0.280584 0.451265 0.334314 O\n0.280584 0.048736 0.334314 O\n0.720021 0.250000 0.889544 O\n0.727398 0.958697 0.164435 O\n0.279980 0.750000 0.110455 O\n0.340933 0.250000 0.060541 O\n0.822720 0.250000 0.367409 O\n0.659068 0.750000 0.939458 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Ti",
"density": 3.4408782835896603,
"density_atomic": 0.08467680582164933,
"volume": 283.43062503503074,
"volume_molar": 7.111912998565562,
"formula_full": "Ti2 Fe2 P4 O16",
"formula_reduced": "TiFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.110937736111111,
"spacegroup": 11
},
{
"id": "jvasp-90036",
"created_at": "2022-09-04T14:35:43.996065Z",
"updated_at": "2022-09-04T14:35:43.996088Z",
"structure_string": "Ti3 Fe3 P3\n1.0\n0.000000 0.000000 -3.574302\n-2.993965 -5.185698 0.000000\n-2.993978 5.185707 0.000000\nTi Fe P\n3 3 3\ndirect\n0.000000 0.419507 -0.000000 Ti\n0.000000 0.580483 0.580496 Ti\n0.000000 0.999987 0.419504 Ti\n0.500000 0.756201 -0.000001 Fe\n0.500000 0.243779 0.243785 Fe\n0.500000 -0.000005 0.756216 Fe\n0.000000 -0.000003 0.000000 P\n0.500000 0.333320 0.666662 P\n0.500000 0.666658 0.333338 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"P"
],
"chemical_system": "Fe-P-Ti",
"density": 6.045267739909728,
"density_atomic": 0.08108975900705319,
"volume": 110.98812119070647,
"volume_molar": 7.426512094426369,
"formula_full": "Ti3 Fe3 P3",
"formula_reduced": "TiFeP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.685533111111112,
"spacegroup": 189
},
{
"id": "jvasp-44766",
"created_at": "2022-09-04T14:38:11.937974Z",
"updated_at": "2022-09-04T14:38:11.937993Z",
"structure_string": "Ti1 Fe1 O4\n1.0\n5.333030 0.183985 0.000000\n2.499426 4.714651 0.000000\n-3.916228 -2.449318 2.671903\nTi Fe O\n1 1 4\ndirect\n0.750000 0.249999 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.533887 0.033886 0.500000 O\n0.203141 0.203141 -0.000000 O\n0.966114 0.466112 0.500000 O\n0.796860 0.796858 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.222593452153548,
"density_atomic": 0.09097530069803064,
"volume": 65.95196667626824,
"volume_molar": 6.619533778721945,
"formula_full": "Ti1 Fe1 O4",
"formula_reduced": "TiFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.756032972222222,
"spacegroup": 119
},
{
"id": "jvasp-55791",
"created_at": "2022-09-04T14:38:15.418457Z",
"updated_at": "2022-09-04T14:38:15.418481Z",
"structure_string": "Ti4 Fe4 O12\n1.0\n5.154850 0.000000 0.000000\n0.000000 5.242775 0.000000\n0.000000 0.000000 7.493425\nTi Fe O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.991560 0.955743 0.750000 Fe\n0.491560 0.544255 0.250000 Fe\n0.508440 0.455744 0.750000 Fe\n0.008440 0.044256 0.250000 Fe\n0.169206 0.175971 0.936784 O\n0.669206 0.324029 0.063215 O\n0.330794 0.675970 0.563215 O\n0.381963 0.928462 0.250000 O\n0.618037 0.071537 0.750000 O\n0.169206 0.175971 0.563215 O\n0.330794 0.675970 0.936784 O\n0.830794 0.824028 0.063215 O\n0.881963 0.571536 0.750000 O\n0.830794 0.824028 0.436785 O\n0.118037 0.428463 0.250000 O\n0.669206 0.324029 0.436785 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.975838230610703,
"density_atomic": 0.098758020996882,
"volume": 202.51519621511497,
"volume_molar": 6.097875088232208,
"formula_full": "Ti4 Fe4 O12",
"formula_reduced": "TiFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6243188666666666,
"spacegroup": 62
}
]
}