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=1109",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1107",
"results": [
{
"id": "jvasp-118337",
"created_at": "2022-09-04T14:38:52.761615Z",
"updated_at": "2022-09-04T14:38:52.761631Z",
"structure_string": "Ti1 O1 F1\n1.0\n3.639472 -0.000000 0.000000\n-1.819736 3.151875 -0.000000\n-0.000000 -0.000000 3.135434\nTi O F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Ti\n0.333333 0.666666 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.8257287027532763,
"density_atomic": 0.08340963548748612,
"volume": 35.967067623141546,
"volume_molar": 7.219958131699901,
"formula_full": "Ti1 O1 F1",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0377707052777778,
"spacegroup": 187
},
{
"id": "jvasp-118341",
"created_at": "2022-09-04T14:38:38.964075Z",
"updated_at": "2022-09-04T14:38:38.964108Z",
"structure_string": "Ti2 O3 F1\n1.0\n2.974585 0.000000 0.000000\n0.000000 3.250099 3.437730\n0.000000 -3.250099 3.437730\nTi O F\n2 3 1\ndirect\n0.000000 0.017291 0.017291 Ti\n0.500001 0.479864 0.479864 Ti\n0.500001 0.201774 0.201774 O\n0.000000 0.301120 0.699255 O\n0.000000 0.699255 0.301120 O\n0.500001 0.800697 0.800697 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 4.065309344843285,
"density_atomic": 0.09026648203089827,
"volume": 66.46985531070322,
"volume_molar": 6.671513749631472,
"formula_full": "Ti2 O3 F1",
"formula_reduced": "Ti2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1790929081944443,
"spacegroup": 38
},
{
"id": "jvasp-118340",
"created_at": "2022-09-04T14:38:38.925096Z",
"updated_at": "2022-09-04T14:38:38.925124Z",
"structure_string": "Ti1 O1 F4\n1.0\n-2.748622 2.748622 2.242766\n2.748622 -2.748622 2.242766\n2.748622 2.748622 -2.242766\nTi O F\n1 1 4\ndirect\n0.114646 0.114646 -0.000000 Ti\n0.578264 0.578264 -0.000000 O\n0.910091 0.343416 0.169508 F\n0.740583 0.910091 0.566676 F\n0.343415 0.173908 0.433325 F\n0.173908 0.740583 0.830493 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.4266414944367147,
"density_atomic": 0.08852730816003151,
"volume": 67.7756968409539,
"volume_molar": 6.8025797747218615,
"formula_full": "Ti1 O1 F4",
"formula_reduced": "TiOF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6616704938888891,
"spacegroup": 79
},
{
"id": "jvasp-118336",
"created_at": "2022-09-04T14:38:38.788750Z",
"updated_at": "2022-09-04T14:38:38.788775Z",
"structure_string": "Ti1 O1 F1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nTi O F\n1 1 1\ndirect\n0.042165 0.343173 0.000000 Ti\n0.258863 -0.019648 0.000000 O\n-0.092732 -0.107009 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 0.716490979133779,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Ti1 O1 F1",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2534907052777777,
"spacegroup": 6
},
{
"id": "jvasp-92222",
"created_at": "2022-09-04T14:36:00.557902Z",
"updated_at": "2022-09-04T14:36:00.557927Z",
"structure_string": "Ti2 O2 F4\n1.0\n3.797015 -0.000000 0.000000\n0.000000 3.797015 0.000000\n0.000000 0.000000 7.857722\nTi O F\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500001 0.000000 0.000000 O\n0.000000 0.500001 0.500000 O\n0.500001 0.000000 0.500000 F\n0.000000 0.500001 0.000000 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 2.986174278382784,
"density_atomic": 0.07061690861726948,
"volume": 113.28731541277901,
"volume_molar": 8.527901996728408,
"formula_full": "Ti2 O2 F4",
"formula_reduced": "TiOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6606305995833333,
"spacegroup": 131
},
{
"id": "jvasp-50788",
"created_at": "2022-09-04T14:37:06.872970Z",
"updated_at": "2022-09-04T14:37:06.872983Z",
"structure_string": "Ti4 O4 F4\n1.0\n0.000000 5.152820 -0.023470\n4.715846 0.000000 0.000000\n0.000000 -0.184049 -5.706878\nTi O F\n4 4 4\ndirect\n0.216146 0.514479 0.641813 Ti\n0.216146 0.985522 0.141813 Ti\n0.783854 0.014479 0.858187 Ti\n0.783854 0.485522 0.358187 Ti\n0.090445 0.763716 0.873008 O\n0.090445 0.736285 0.373008 O\n0.909555 0.263716 0.626993 O\n0.909555 0.236284 0.126993 O\n0.417068 0.231619 0.877277 F\n0.417068 0.268381 0.377276 F\n0.582932 0.731620 0.622724 F\n0.582932 0.768382 0.122724 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.9683706324411747,
"density_atomic": 0.08651955578892745,
"volume": 138.69696729922103,
"volume_molar": 6.960438833841883,
"formula_full": "Ti4 O4 F4",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7184407052777779,
"spacegroup": 14
},
{
"id": "jvasp-30164",
"created_at": "2022-09-04T14:37:08.231642Z",
"updated_at": "2022-09-04T14:37:08.231675Z",
"structure_string": "Ti2 O2 F2\n1.0\n4.017022 -0.000013 0.000001\n-0.000044 5.660426 -0.000019\n0.000001 -0.000005 3.058188\nTi O F\n2 2 2\ndirect\n0.250003 0.131145 0.750001 Ti\n0.749998 0.868856 0.249998 Ti\n0.249999 0.885827 0.249998 O\n0.750001 0.114176 0.750001 O\n0.250005 0.361658 0.250003 F\n0.749995 0.638344 0.749997 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.9575981029591323,
"density_atomic": 0.08628469000852627,
"volume": 69.53724930120403,
"volume_molar": 6.979385055917705,
"formula_full": "Ti2 O2 F2",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7329407052777779,
"spacegroup": 59
},
{
"id": "jvasp-52371",
"created_at": "2022-09-04T14:35:56.952136Z",
"updated_at": "2022-09-04T14:35:56.952153Z",
"structure_string": "Ti1 O1 F1\n1.0\n2.875895 0.000000 -0.000000\n0.000000 2.875895 0.000000\n0.000000 0.000000 3.957396\nTi O F\n1 1 1\ndirect\n0.499999 0.499999 0.999871 Ti\n0.000000 0.000000 0.999905 O\n0.499999 0.499999 0.499863 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 4.204009016175382,
"density_atomic": 0.09165701147939129,
"volume": 32.730720231638124,
"volume_molar": 6.570300147036819,
"formula_full": "Ti1 O1 F1",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7004707052777777,
"spacegroup": 123
},
{
"id": "jvasp-118338",
"created_at": "2022-09-04T14:38:50.872015Z",
"updated_at": "2022-09-04T14:38:50.872047Z",
"structure_string": "Ti1 O1 F1\n1.0\n2.871024 0.000000 0.000000\n0.000000 2.871024 0.000000\n0.000000 -0.000000 3.950501\nTi O F\n1 1 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 4.2256485997426765,
"density_atomic": 0.09212880389272943,
"volume": 32.56310592605829,
"volume_molar": 6.536653582317107,
"formula_full": "Ti1 O1 F1",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6989373719444445,
"spacegroup": 123
},
{
"id": "jvasp-104909",
"created_at": "2022-09-04T14:36:50.522416Z",
"updated_at": "2022-09-04T14:36:50.522441Z",
"structure_string": "Ti1 O1 F2\n1.0\n3.927732 -0.000000 0.000000\n0.000000 3.927732 0.000000\n-0.000000 -0.000000 3.691128\nTi O F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 F\n-0.000000 0.500000 -0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 2.9704595322701723,
"density_atomic": 0.07024528704172671,
"volume": 56.94332201424335,
"volume_molar": 8.573017512794506,
"formula_full": "Ti1 O1 F2",
"formula_reduced": "TiOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6513755995833332,
"spacegroup": 123
},
{
"id": "jvasp-52498",
"created_at": "2022-09-04T14:38:16.907354Z",
"updated_at": "2022-09-04T14:38:16.907379Z",
"structure_string": "Ti4 O4 F4\n1.0\n0.000000 5.075294 0.012650\n4.918260 0.000000 0.000000\n0.000000 -1.109036 -5.105944\nTi O F\n4 4 4\ndirect\n0.312722 0.537962 0.709350 Ti\n0.312722 0.962038 0.209351 Ti\n0.687276 0.037962 0.790649 Ti\n0.687276 0.462038 0.290649 Ti\n0.442632 0.251506 0.987060 O\n0.442633 0.248494 0.487060 O\n0.557366 0.751506 0.512939 O\n0.557366 0.748494 0.012940 O\n0.050665 0.801841 0.865491 F\n0.050665 0.698159 0.365492 F\n0.949333 0.301841 0.634508 F\n0.949334 0.198159 0.134508 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 4.320814645555371,
"density_atomic": 0.09420364134430036,
"volume": 127.38361095981182,
"volume_molar": 6.3926836309755455,
"formula_full": "Ti4 O4 F4",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7217407052777778,
"spacegroup": 14
},
{
"id": "jvasp-107023",
"created_at": "2022-09-04T14:36:58.452242Z",
"updated_at": "2022-09-04T14:36:58.452258Z",
"structure_string": "Ti1 Ni2 Sn1\n1.0\n3.182433 -0.000000 0.000000\n0.000000 3.182433 0.000000\n0.000000 0.000000 5.860301\nTi Ni Sn\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.286910 Ni\n0.500000 0.500000 0.713090 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Ti",
"density": 7.944628891181535,
"density_atomic": 0.06739404598077878,
"volume": 59.35242411682519,
"volume_molar": 8.9357163119685,
"formula_full": "Ti1 Ni2 Sn1",
"formula_reduced": "TiNi2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4904212083333337,
"spacegroup": 123
}
]
}