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=3538",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3536",
"results": [
{
"id": "jvasp-80184",
"created_at": "2022-09-04T14:37:15.714123Z",
"updated_at": "2022-09-04T14:37:15.714151Z",
"structure_string": "Ti2 Os1 Rh1\n1.0\n-8.342774 0.000001 -4.816701\n-5.551369 0.273823 -0.018148\n-4.760461 2.510848 -1.388041\nTi Os Rh\n2 1 1\ndirect\n0.752007 -0.000000 -0.000000 Ti\n0.247993 -0.000000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Ti",
"density": 10.145005511809464,
"density_atomic": 0.0628433458774272,
"volume": 63.65033471963444,
"volume_molar": 9.582781877568843,
"formula_full": "Ti2 Os1 Rh1",
"formula_reduced": "Ti2OsRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.153638666666667,
"spacegroup": 71
},
{
"id": "jvasp-109608",
"created_at": "2022-09-04T14:38:00.277136Z",
"updated_at": "2022-09-04T14:38:00.277166Z",
"structure_string": "Ti2 Os1 Rh1\n1.0\n3.793147 -0.000000 2.189974\n1.264382 3.576213 2.189974\n-0.000000 -0.000000 4.379949\nTi Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.749999 0.749999 Ti\n0.500000 0.500000 0.499999 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Ti",
"density": 10.868281391598622,
"density_atomic": 0.06732368610252418,
"volume": 59.41445324173995,
"volume_molar": 8.945055015004908,
"formula_full": "Ti2 Os1 Rh1",
"formula_reduced": "Ti2OsRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9366286666666666,
"spacegroup": 225
},
{
"id": "jvasp-80025",
"created_at": "2022-09-04T14:36:51.011465Z",
"updated_at": "2022-09-04T14:36:51.011481Z",
"structure_string": "Ti2 Os1 Ru1\n1.0\n0.000000 3.087512 3.087512\n3.087512 -0.000000 3.087512\n3.087512 3.087512 0.000000\nTi Os Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Os\n0.750001 0.750001 0.750001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Os",
"Ru"
],
"chemical_system": "Os-Ru-Ti",
"density": 10.91797907411797,
"density_atomic": 0.06795227997725733,
"volume": 58.86483869766759,
"volume_molar": 8.86230861130123,
"formula_full": "Ti2 Os1 Ru1",
"formula_reduced": "Ti2OsRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.3324580416666665,
"spacegroup": 225
},
{
"id": "jvasp-14121",
"created_at": "2022-09-04T14:38:02.012513Z",
"updated_at": "2022-09-04T14:38:02.012534Z",
"structure_string": "Ti2 P2 Cl18\n1.0\n6.822463 -0.065378 0.056659\n-0.889405 8.803935 0.084756\n-1.051659 -1.865178 9.098709\nTi P Cl\n2 2 18\ndirect\n0.381486 0.365314 0.318976 Ti\n0.618513 0.634685 0.681025 Ti\n0.048943 0.189094 0.776978 P\n0.951056 0.810905 0.223023 P\n0.736733 0.942717 0.233229 Cl\n0.263266 0.057282 0.766772 Cl\n0.063830 0.801225 0.421475 Cl\n0.936169 0.198774 0.578525 Cl\n0.714858 0.485282 0.449570 Cl\n0.158546 0.902355 0.121020 Cl\n0.285141 0.514717 0.550431 Cl\n0.515498 0.240456 0.122873 Cl\n0.053212 0.287817 0.242888 Cl\n0.841453 0.097644 0.878980 Cl\n0.585398 0.839044 0.560752 Cl\n0.414601 0.160955 0.439249 Cl\n0.625109 0.413758 0.783006 Cl\n0.374889 0.586241 0.216994 Cl\n0.844553 0.604268 0.113315 Cl\n0.946787 0.712182 0.757113 Cl\n0.484501 0.759543 0.877128 Cl\n0.155446 0.395731 0.886685 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ti",
"P",
"Cl"
],
"chemical_system": "Cl-P-Ti",
"density": 2.4129192434214017,
"density_atomic": 0.0401691876839611,
"volume": 547.6834675644745,
"volume_molar": 14.991940607264363,
"formula_full": "Ti2 P2 Cl18",
"formula_reduced": "TiPCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7497818582575759,
"spacegroup": 2
},
{
"id": "jvasp-118126",
"created_at": "2022-09-04T14:38:44.628770Z",
"updated_at": "2022-09-04T14:38:44.628789Z",
"structure_string": "Ti2 P2 Cl2\n1.0\n3.461605 0.000000 0.000000\n0.000000 4.897063 0.000000\n0.000000 0.000000 7.221268\nTi P Cl\n2 2 2\ndirect\n0.499999 0.000000 0.119598 Ti\n0.000000 0.500000 0.880402 Ti\n0.000000 0.000000 0.875554 P\n0.499999 0.500000 0.124446 P\n0.499999 0.500000 0.637955 Cl\n0.000000 0.000000 0.362045 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"P",
"Cl"
],
"chemical_system": "Cl-P-Ti",
"density": 3.1008085808257575,
"density_atomic": 0.049014501115122226,
"volume": 122.41275262411774,
"volume_molar": 12.286447118691607,
"formula_full": "Ti2 P2 Cl2",
"formula_reduced": "TiPCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6678493002777777,
"spacegroup": 59
},
{
"id": "jvasp-118127",
"created_at": "2022-09-04T14:38:52.650442Z",
"updated_at": "2022-09-04T14:38:52.650464Z",
"structure_string": "Ti1 P1 Cl2\n1.0\n3.462250 -0.000000 -0.000000\n0.000000 3.462250 -0.000000\n0.000000 0.000000 7.544921\nTi P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.791202 Ti\n0.000000 0.000000 0.709521 P\n0.000000 0.000000 0.427271 Cl\n0.500000 0.500000 0.082006 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"P",
"Cl"
],
"chemical_system": "Cl-P-Ti",
"density": 2.74938141806098,
"density_atomic": 0.04422709830136676,
"volume": 90.44228885973257,
"volume_molar": 13.616404854247236,
"formula_full": "Ti1 P1 Cl2",
"formula_reduced": "TiPCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5309629920833334,
"spacegroup": 99
},
{
"id": "jvasp-118129",
"created_at": "2022-09-04T14:38:52.874344Z",
"updated_at": "2022-09-04T14:38:52.874363Z",
"structure_string": "Ti1 P1 Cl1\n1.0\n2.909182 0.000000 -0.000000\n-0.000000 2.909182 0.000000\n-0.000000 0.000000 8.205271\nTi P Cl\n1 1 1\ndirect\n0.000000 0.000000 0.017027 Ti\n0.000000 0.000000 0.718311 P\n0.000000 0.000000 0.282792 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"P",
"Cl"
],
"chemical_system": "Cl-P-Ti",
"density": 2.732982887634746,
"density_atomic": 0.04320027802487254,
"volume": 69.44399751947779,
"volume_molar": 13.94005093331287,
"formula_full": "Ti1 P1 Cl1",
"formula_reduced": "TiPCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0578359669444444,
"spacegroup": 99
},
{
"id": "jvasp-36688",
"created_at": "2022-09-04T14:37:45.273995Z",
"updated_at": "2022-09-04T14:37:45.274014Z",
"structure_string": "Ti4 P4 N12\n1.0\n-2.662768 4.153779 -0.732406\n0.004911 -0.004341 -6.401242\n-4.852982 -4.144623 0.496599\nTi P N\n4 4 12\ndirect\n0.250000 0.717809 0.717809 Ti\n0.750001 0.896924 0.896924 Ti\n0.750000 0.282191 0.282191 Ti\n0.250000 0.103076 0.103076 Ti\n0.205263 0.613124 0.213556 P\n0.705263 0.786444 0.386876 P\n0.794738 0.386876 0.786443 P\n0.294738 0.213556 0.613123 P\n0.368720 0.385857 0.145981 N\n0.361824 0.026218 0.784912 N\n0.093250 0.420092 0.710157 N\n0.631281 0.614143 0.854019 N\n0.131281 0.145981 0.385856 N\n0.138176 0.784912 0.026219 N\n0.406751 0.710157 0.420092 N\n0.861825 0.215088 0.973781 N\n0.638177 0.973782 0.215087 N\n0.906751 0.579908 0.289843 N\n0.868720 0.854019 0.614143 N\n0.593250 0.289843 0.579908 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"P",
"N"
],
"chemical_system": "N-P-Ti",
"density": 4.019737413745298,
"density_atomic": 0.1001458376665314,
"volume": 199.70874941998684,
"volume_molar": 6.013371000053645,
"formula_full": "Ti4 P4 N12",
"formula_reduced": "TiPN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.554342716666666,
"spacegroup": 15
},
{
"id": "jvasp-36677",
"created_at": "2022-09-04T14:38:03.135646Z",
"updated_at": "2022-09-04T14:38:03.135666Z",
"structure_string": "Ti1 P1 N3\n1.0\n2.839972 0.000000 0.000000\n0.000000 4.523944 -2.202246\n0.000000 0.016979 5.031468\nTi P N\n1 1 3\ndirect\n0.000000 0.578372 0.421627 Ti\n0.500000 0.925496 0.074502 P\n0.500000 0.772902 0.718678 N\n0.000000 0.813856 0.186142 N\n0.500000 0.281321 0.227097 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"P",
"N"
],
"chemical_system": "N-P-Ti",
"density": 3.0995307437256474,
"density_atomic": 0.07722024370103302,
"volume": 64.74986040393851,
"volume_molar": 7.798655470857364,
"formula_full": "Ti1 P1 N3",
"formula_reduced": "TiPN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.569234716666666,
"spacegroup": 38
},
{
"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-21363",
"created_at": "2022-09-04T14:36:49.701074Z",
"updated_at": "2022-09-04T14:36:49.701084Z",
"structure_string": "Ti2 P4 O14\n1.0\n6.375687 -0.275954 0.147365\n-0.364824 -6.467639 0.180537\n-3.027838 0.365166 -6.256163\nTi P O\n2 4 14\ndirect\n0.096190 0.342312 0.202153 Ti\n0.903811 0.657687 0.797847 Ti\n0.321213 0.630194 0.659053 P\n0.678788 0.369805 0.340947 P\n0.223834 0.856610 0.283842 P\n0.776167 0.143389 0.716158 P\n0.942400 0.330566 0.875009 O\n0.082437 0.057720 0.219888 O\n0.229098 0.438328 0.497941 O\n0.785413 0.182627 0.492344 O\n0.589872 0.649803 0.776680 O\n0.057601 0.669433 0.124991 O\n0.917563 0.942279 0.780111 O\n0.214588 0.817372 0.507656 O\n0.780949 0.363302 0.182375 O\n0.459604 0.861645 0.297055 O\n0.540397 0.138354 0.702945 O\n0.410129 0.350196 0.223319 O\n0.219052 0.636697 0.817625 O\n0.770902 0.561671 0.502059 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 2.883937980000305,
"density_atomic": 0.07829879219090691,
"volume": 255.43178177303562,
"volume_molar": 7.691230722074114,
"formula_full": "Ti2 P4 O14",
"formula_reduced": "TiP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9446973833333328,
"spacegroup": 2
},
{
"id": "jvasp-17326",
"created_at": "2022-09-04T14:38:31.649553Z",
"updated_at": "2022-09-04T14:38:31.649573Z",
"structure_string": "Ti3 P1 O2\n1.0\n1.589871 -2.753738 0.000000\n1.589871 2.753738 -0.000000\n0.000000 -0.000000 7.981887\nTi P O\n3 1 2\ndirect\n0.666667 0.333333 0.709365 Ti\n0.333333 0.666667 0.290635 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.141985 O\n0.333333 0.666667 0.858016 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 4.9079910213157865,
"density_atomic": 0.08584819616769922,
"volume": 69.89081038207682,
"volume_molar": 7.014871632522268,
"formula_full": "Ti3 P1 O2",
"formula_reduced": "Ti3PO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.237366250000001,
"spacegroup": 164
}
]
}