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=elements&page=3539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3537",
"results": [
{
"id": "jvasp-9742",
"created_at": "2022-09-04T14:37:09.247741Z",
"updated_at": "2022-09-04T14:37:09.247752Z",
"structure_string": "Ti2 P2 O8\n1.0\n4.866199 0.043288 0.000000\n-1.804030 4.519652 -0.000000\n-0.000000 0.000000 5.904595\nTi P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.648609 0.351391 0.250000 P\n0.351391 0.648609 0.750001 P\n0.243785 0.756215 0.536508 O\n0.756215 0.243786 0.036508 O\n0.756215 0.243786 0.463492 O\n0.243785 0.756215 0.963493 O\n0.698065 0.765800 0.750001 O\n0.301936 0.234200 0.250000 O\n0.765800 0.698065 0.250000 O\n0.234200 0.301936 0.750001 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 3.6399854806650396,
"density_atomic": 0.09207822588932958,
"volume": 130.3239705598043,
"volume_molar": 6.540244125943646,
"formula_full": "Ti2 P2 O8",
"formula_reduced": "TiPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.599242972222222,
"spacegroup": 63
},
{
"id": "jvasp-40494",
"created_at": "2022-09-04T14:38:13.197613Z",
"updated_at": "2022-09-04T14:38:13.197640Z",
"structure_string": "Ti3 P1 O7\n1.0\n4.033909 2.328979 2.359400\n-4.033909 2.328979 2.359400\n-0.000000 -4.657957 2.359400\nTi P O\n3 1 7\ndirect\n0.180681 0.535125 0.535115 Ti\n0.535125 0.535115 0.180681 Ti\n0.535114 0.180681 0.535125 Ti\n0.991280 0.991280 0.991281 P\n0.141798 0.826289 0.826259 O\n0.393087 0.793616 0.393072 O\n0.219228 0.219228 0.219228 O\n0.826289 0.826259 0.141798 O\n0.393072 0.393087 0.793616 O\n0.793616 0.393072 0.393087 O\n0.826259 0.141798 0.826289 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 3.5779662537038766,
"density_atomic": 0.08270813965866768,
"volume": 132.9977925437139,
"volume_molar": 7.281194795159306,
"formula_full": "Ti3 P1 O7",
"formula_reduced": "Ti3PO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.1920759090909088,
"spacegroup": 160
},
{
"id": "jvasp-90133",
"created_at": "2022-09-04T14:36:10.201824Z",
"updated_at": "2022-09-04T14:36:10.201849Z",
"structure_string": "Ti3 P3 Os3\n1.0\n0.000000 0.000000 -3.724804\n-3.145351 -5.447905 0.000000\n-3.145335 5.447897 0.000000\nTi P Os\n3 3 3\ndirect\n0.500000 0.583859 -0.000000 Ti\n0.500000 0.416107 0.416105 Ti\n0.500000 0.000002 0.583894 Ti\n0.000000 0.333325 0.666664 P\n0.000000 0.666661 0.333335 P\n0.500000 0.999976 -0.000001 P\n0.000000 0.253196 -0.000000 Os\n0.000000 0.746780 0.746788 Os\n0.000000 -0.000009 0.253211 Os\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"P",
"Os"
],
"chemical_system": "Os-P-Ti",
"density": 10.500409132102387,
"density_atomic": 0.07050369358187196,
"volume": 127.65288657606014,
"volume_molar": 8.541596126459428,
"formula_full": "Ti3 P3 Os3",
"formula_reduced": "TiPOs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5127962777777784,
"spacegroup": 189
},
{
"id": "jvasp-16329",
"created_at": "2022-09-04T14:37:49.928074Z",
"updated_at": "2022-09-04T14:37:49.928099Z",
"structure_string": "Ti3 P3 Ru3\n1.0\n3.138805 -5.436570 0.000000\n3.138805 5.436570 -0.000000\n0.000000 0.000000 3.674579\nTi P Ru\n3 3 3\ndirect\n-0.000000 0.584042 0.500000 Ti\n0.584042 -0.000000 0.500000 Ti\n0.415957 0.415957 0.500000 Ti\n0.000000 0.000000 0.500000 P\n0.333332 0.666666 0.000000 P\n0.666666 0.333332 0.000000 P\n0.748914 0.748914 0.000000 Ru\n0.251085 -0.000000 0.000000 Ru\n-0.000000 0.251085 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"P",
"Ru"
],
"chemical_system": "P-Ru-Ti",
"density": 7.146618359746725,
"density_atomic": 0.07176548182582,
"volume": 125.40848010807827,
"volume_molar": 8.39141688565008,
"formula_full": "Ti3 P3 Ru3",
"formula_reduced": "TiPRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0209914444444443,
"spacegroup": 189
},
{
"id": "jvasp-11137",
"created_at": "2022-09-04T14:36:53.143724Z",
"updated_at": "2022-09-04T14:36:53.143735Z",
"structure_string": "Ti2 P4 S12\n1.0\n6.672968 -0.070113 -1.234195\n-2.785063 6.064392 -1.234195\n-0.065457 -0.100920 11.226196\nTi P S\n2 4 12\ndirect\n0.600351 0.100351 0.200701 Ti\n0.850351 0.850351 0.700700 Ti\n0.638267 0.512082 0.376619 P\n0.738353 0.864538 0.376619 P\n0.614538 0.988353 0.876619 P\n0.262082 0.888267 0.876619 P\n0.668188 0.709671 0.856970 S\n0.188783 0.147299 0.856970 S\n0.985228 0.030284 0.543766 S\n0.558539 0.513483 0.543766 S\n0.780283 0.235228 0.043766 S\n0.375757 0.308141 0.224793 S\n0.849037 0.916651 0.224793 S\n0.666651 0.099037 0.724793 S\n0.058141 0.625757 0.724793 S\n0.459671 0.918187 0.356970 S\n0.897300 0.438783 0.356970 S\n0.263483 0.808538 0.043766 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"P",
"S"
],
"chemical_system": "P-S-Ti",
"density": 2.2281914304232293,
"density_atomic": 0.039961791554730064,
"volume": 450.43025599460236,
"volume_molar": 15.069746689790717,
"formula_full": "Ti2 P4 S12",
"formula_reduced": "Ti(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.7125843703703705,
"spacegroup": 43
},
{
"id": "jvasp-115367",
"created_at": "2022-09-04T14:38:43.660322Z",
"updated_at": "2022-09-04T14:38:43.660343Z",
"structure_string": "Ti1 P1 S4\n1.0\n-2.966655 2.747172 4.618031\n2.966655 -2.747172 4.618031\n2.966655 2.747172 -4.618031\nTi P S\n1 1 4\ndirect\n-0.000000 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 P\n0.661393 0.651764 0.560497 S\n0.338607 0.899104 -0.009628 S\n0.908733 0.348236 0.009629 S\n0.091267 0.100898 0.439505 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"P",
"S"
],
"chemical_system": "P-S-Ti",
"density": 2.284341678304194,
"density_atomic": 0.03985488127398534,
"volume": 150.54617673435166,
"volume_molar": 15.110171119568381,
"formula_full": "Ti1 P1 S4",
"formula_reduced": "TiPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.555722305555556,
"spacegroup": 23
},
{
"id": "jvasp-115366",
"created_at": "2022-09-04T14:38:46.004014Z",
"updated_at": "2022-09-04T14:38:46.004051Z",
"structure_string": "Ti1 P1 S1\n1.0\n3.092444 -0.000000 0.000000\n0.000000 3.092444 -0.000000\n-0.000000 0.000000 6.580055\nTi P S\n1 1 1\ndirect\n0.000000 0.000000 0.665856 Ti\n0.000000 0.000000 0.308768 P\n0.000000 0.000000 0.012747 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"P",
"S"
],
"chemical_system": "P-S-Ti",
"density": 2.926644663368448,
"density_atomic": 0.04767470816367048,
"volume": 62.926447073378995,
"volume_molar": 12.631730726752611,
"formula_full": "Ti1 P1 S1",
"formula_reduced": "TiPS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6996179444444444,
"spacegroup": 99
},
{
"id": "jvasp-17788",
"created_at": "2022-09-04T14:38:12.146422Z",
"updated_at": "2022-09-04T14:38:12.146453Z",
"structure_string": "Ti4 Pb2 C2\n1.0\n1.614540 -2.796466 -0.000000\n1.614540 2.796466 0.000000\n-0.000000 -0.000000 13.943705\nTi Pb C\n4 2 2\ndirect\n0.666667 0.333333 0.577481 Ti\n0.333333 0.666667 0.422519 Ti\n0.333333 0.666667 0.077481 Ti\n0.666667 0.333333 0.922519 Ti\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Pb",
"C"
],
"chemical_system": "C-Pb-Ti",
"density": 8.307050740106025,
"density_atomic": 0.06353652418938138,
"volume": 125.9118294881011,
"volume_molar": 9.478234506580796,
"formula_full": "Ti4 Pb2 C2",
"formula_reduced": "Ti2PbC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.325809371666667,
"spacegroup": 194
},
{
"id": "jvasp-3450",
"created_at": "2022-09-04T14:36:31.173382Z",
"updated_at": "2022-09-04T14:36:31.173401Z",
"structure_string": "Ti1 Pb1 O3\n1.0\n3.898485 0.000000 0.000000\n0.000000 3.898485 -0.000000\n0.000000 0.000000 4.313920\nTi Pb O\n1 1 3\ndirect\n0.499999 0.499999 0.582683 Ti\n0.000000 0.000000 0.122231 Pb\n0.000000 0.499999 0.494996 O\n0.499999 0.000000 0.494996 O\n0.499999 0.499999 0.995296 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti",
"density": 7.675759273118086,
"density_atomic": 0.07626164732632879,
"volume": 65.56375550877704,
"volume_molar": 7.896683288561614,
"formula_full": "Ti1 Pb1 O3",
"formula_reduced": "TiPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9047819306666665,
"spacegroup": 99
},
{
"id": "jvasp-4957",
"created_at": "2022-09-04T14:38:14.074969Z",
"updated_at": "2022-09-04T14:38:14.074985Z",
"structure_string": "Ti1 Pb1 O3\n1.0\n3.960195 0.000000 0.000000\n0.000000 3.959961 0.000000\n0.000000 0.000000 3.960245\nTi Pb O\n1 1 3\ndirect\n0.499999 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500001 O\n0.499999 0.500000 0.000000 O\n0.499999 0.000000 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti",
"density": 8.103182754836054,
"density_atomic": 0.08050826549945525,
"volume": 62.10542444283353,
"volume_molar": 7.480152159085762,
"formula_full": "Ti1 Pb1 O3",
"formula_reduced": "TiPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9081199306666663,
"spacegroup": 221
},
{
"id": "jvasp-115289",
"created_at": "2022-09-04T14:38:43.507595Z",
"updated_at": "2022-09-04T14:38:43.507622Z",
"structure_string": "Ti1 Pb1 O1\n1.0\n6.604132 -0.000000 0.000000\n-0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nTi Pb O\n1 1 1\ndirect\n-0.075275 -0.015677 0.000000 Ti\n-0.000436 0.339595 0.000000 Pb\n0.278842 -0.000148 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti",
"density": 2.166953756892074,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Ti1 Pb1 O1",
"formula_reduced": "TiPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4263708844444447,
"spacegroup": 6
},
{
"id": "jvasp-115290",
"created_at": "2022-09-04T14:38:46.217659Z",
"updated_at": "2022-09-04T14:38:46.217669Z",
"structure_string": "Ti1 Pb1 O3\n1.0\n3.956567 0.000000 -0.000000\n0.000000 3.956567 -0.000000\n0.000000 0.000000 3.956567\nTi Pb O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500001 0.500001 O\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti",
"density": 8.125116464448332,
"density_atomic": 0.08072618541688516,
"volume": 61.93777117274974,
"volume_molar": 7.459959527259385,
"formula_full": "Ti1 Pb1 O3",
"formula_reduced": "TiPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9055479306666665,
"spacegroup": 221
}
]
}