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=4016",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4014",
"results": [
{
"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-14506",
"created_at": "2022-09-04T14:37:27.021956Z",
"updated_at": "2022-09-04T14:37:27.021965Z",
"structure_string": "Ti6 Pt2\n1.0\n5.028443 -0.000000 0.000000\n0.000000 5.028443 0.000000\n0.000000 0.000000 5.028443\nTi Pt\n6 2\ndirect\n0.000000 0.250000 0.500000 Ti\n0.000000 0.749999 0.500000 Ti\n0.250000 0.500000 0.000000 Ti\n0.749999 0.500000 0.000000 Ti\n0.500000 0.000000 0.250000 Ti\n0.500000 0.000000 0.749999 Ti\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Pt"
],
"chemical_system": "Pt-Ti",
"density": 8.846560687823386,
"density_atomic": 0.06292009828881188,
"volume": 127.14538307424287,
"volume_molar": 9.571092423215152,
"formula_full": "Ti6 Pt2",
"formula_reduced": "Ti3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3554791,
"spacegroup": 223
},
{
"id": "jvasp-22900",
"created_at": "2022-09-04T14:38:26.748486Z",
"updated_at": "2022-09-04T14:38:26.748495Z",
"structure_string": "Ti6 Rh10\n1.0\n4.115309 0.000000 0.000000\n0.000000 5.406275 -0.000000\n0.000000 0.000000 10.503051\nTi Rh\n6 10\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.339239 0.144010 Ti\n0.500000 0.660762 0.855990 Ti\n0.500000 0.839239 0.355990 Ti\n0.500000 0.160762 0.644010 Ti\n0.000000 0.000000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.102288 0.235887 Rh\n0.000000 0.897713 0.764113 Rh\n0.000000 0.602288 0.264113 Rh\n0.000000 0.397713 0.735887 Rh\n0.500000 0.312395 0.393164 Rh\n0.500000 0.687606 0.606836 Rh\n0.500000 0.812395 0.106836 Rh\n0.500000 0.187606 0.893164 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ti",
"Rh"
],
"chemical_system": "Rh-Ti",
"density": 9.353491025739217,
"density_atomic": 0.06847056715989551,
"volume": 233.67704787132973,
"volume_molar": 8.795225466640037,
"formula_full": "Ti6 Rh10",
"formula_reduced": "Ti3Rh5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.68037375,
"spacegroup": 55
},
{
"id": "jvasp-102174",
"created_at": "2022-09-04T14:36:59.553193Z",
"updated_at": "2022-09-04T14:36:59.553209Z",
"structure_string": "Ti3 S2\n1.0\n4.342348 0.002028 1.243027\n0.937673 4.239901 1.243027\n0.002524 0.002028 4.516758\nTi S\n3 2\ndirect\n-0.000001 0.337027 0.662974 Ti\n0.337026 0.662973 0.000001 Ti\n0.662973 0.000000 0.337027 Ti\n0.832302 0.832304 0.832305 S\n0.167696 0.167697 0.167697 S\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.14956327657353,
"density_atomic": 0.060148110182612034,
"volume": 83.12813128824502,
"volume_molar": 10.012186154671433,
"formula_full": "Ti3 S2",
"formula_reduced": "Ti3S2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.051839,
"spacegroup": 155
},
{
"id": "jvasp-111335",
"created_at": "2022-09-04T14:38:44.066923Z",
"updated_at": "2022-09-04T14:38:44.066949Z",
"structure_string": "Ti3 S4\n1.0\n3.449991 0.000000 0.000000\n-1.724995 2.987780 0.000000\n0.000000 0.000000 11.719685\nTi S\n3 4\ndirect\n0.333332 0.666667 0.385706 Ti\n0.333332 0.666667 0.113112 Ti\n0.666666 0.333333 0.875595 Ti\n0.666666 0.333333 0.251171 S\n0.333332 0.666667 0.756866 S\n0.000000 0.000000 0.502380 S\n0.000000 0.000000 0.000169 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.7369173332975825,
"density_atomic": 0.057944940753418855,
"volume": 120.80433440752094,
"volume_molar": 10.392867231717176,
"formula_full": "Ti3 S4",
"formula_reduced": "Ti3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.8995207142857145,
"spacegroup": 156
},
{
"id": "jvasp-19703",
"created_at": "2022-09-04T14:37:55.862099Z",
"updated_at": "2022-09-04T14:37:55.862120Z",
"structure_string": "Ti6 Sb2\n1.0\n5.211058 0.000000 -0.000000\n0.000000 5.211058 -0.000000\n0.000000 0.000000 5.211058\nTi Sb\n6 2\ndirect\n0.500000 0.250000 0.000000 Ti\n0.500000 0.750000 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.750000 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750000 Ti\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Sb"
],
"chemical_system": "Sb-Ti",
"density": 6.227854638643989,
"density_atomic": 0.05653433214329758,
"volume": 141.50693387024364,
"volume_molar": 10.652183428532735,
"formula_full": "Ti6 Sb2",
"formula_reduced": "Ti3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 3.180762775,
"spacegroup": 223
},
{
"id": "jvasp-56332",
"created_at": "2022-09-04T14:37:31.023177Z",
"updated_at": "2022-09-04T14:37:31.023204Z",
"structure_string": "Ti12 Sb4\n1.0\n4.932142 0.000000 1.754239\n2.466070 7.474346 0.877120\n-0.038655 -0.000000 7.919293\nTi Sb\n12 4\ndirect\n0.575822 0.708994 0.139360 Ti\n0.715182 0.860640 0.708993 Ti\n0.284817 0.139360 0.291007 Ti\n0.075822 0.139360 0.708993 Ti\n0.750000 -0.000000 0.000000 Ti\n0.784817 0.291007 0.139360 Ti\n0.424176 0.291007 0.860640 Ti\n0.250000 -0.000000 0.000000 Ti\n0.215182 0.708994 0.860640 Ti\n0.924177 0.860640 0.291007 Ti\n0.749999 0.500000 0.500000 Ti\n0.249999 0.500000 0.500000 Ti\n0.837649 0.500000 0.824701 Sb\n0.337649 0.824701 0.500000 Sb\n0.162350 0.500000 0.175300 Sb\n0.662349 0.175300 0.500000 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ti",
"Sb"
],
"chemical_system": "Sb-Ti",
"density": 6.02695129140926,
"density_atomic": 0.05471060034153199,
"volume": 292.4478967534571,
"volume_molar": 11.007264995095412,
"formula_full": "Ti12 Sb4",
"formula_reduced": "Ti3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 3.193155275,
"spacegroup": 140
},
{
"id": "jvasp-108064",
"created_at": "2022-09-04T14:35:53.272160Z",
"updated_at": "2022-09-04T14:35:53.272185Z",
"structure_string": "Ti3 Se1\n1.0\n3.200137 0.000000 0.000000\n-1.600068 2.771400 0.000000\n0.000000 0.000000 7.895255\nTi Se\n3 1\ndirect\n0.666667 0.333333 0.229995 Ti\n0.666667 0.333333 0.770005 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 -0.000000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.277937174445261,
"density_atomic": 0.057124978047241114,
"volume": 70.02190874702984,
"volume_molar": 10.542044768962223,
"formula_full": "Ti3 Se1",
"formula_reduced": "Ti3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 3.095994591666667,
"spacegroup": 187
},
{
"id": "jvasp-22394",
"created_at": "2022-09-04T14:38:18.102089Z",
"updated_at": "2022-09-04T14:38:18.102113Z",
"structure_string": "Ti6 Se8\n1.0\n4.947741 -8.569740 0.000000\n4.947741 8.569740 -0.000000\n-0.000000 -0.000000 3.580729\nTi Se\n6 8\ndirect\n0.359152 0.870478 0.750000 Ti\n0.488674 0.359152 0.250000 Ti\n0.870478 0.511325 0.250000 Ti\n0.129521 0.488674 0.750000 Ti\n0.511326 0.640848 0.750000 Ti\n0.640848 0.129521 0.250000 Ti\n0.049690 0.699614 0.750000 Se\n0.350075 0.049690 0.250000 Se\n0.699613 0.649924 0.250000 Se\n0.300386 0.350075 0.750000 Se\n0.649924 0.950310 0.750000 Se\n0.950310 0.300386 0.250000 Se\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.02496208266521,
"density_atomic": 0.046105420043381314,
"volume": 303.6519347796242,
"volume_molar": 13.061676380637405,
"formula_full": "Ti6 Se8",
"formula_reduced": "Ti3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.6032783523809524,
"spacegroup": 176
},
{
"id": "jvasp-94868",
"created_at": "2022-09-04T14:35:45.854537Z",
"updated_at": "2022-09-04T14:35:45.854564Z",
"structure_string": "Ti3 Se4\n1.0\n-0.000000 3.553737 -0.000000\n0.009687 -0.000000 6.438358\n6.032487 -1.776869 -3.157226\nTi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.748238 0.708185 0.496475 Ti\n0.251763 0.291815 0.503526 Ti\n0.632723 0.964183 0.265445 Se\n0.367278 0.035817 0.734556 Se\n0.888118 0.550372 0.776235 Se\n0.111883 0.449628 0.223766 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.5230655128009944,
"density_atomic": 0.05067565709067833,
"volume": 138.13338399291587,
"volume_molar": 11.883695458006716,
"formula_full": "Ti3 Se4",
"formula_reduced": "Ti3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.6052926380952384,
"spacegroup": 12
},
{
"id": "jvasp-101687",
"created_at": "2022-09-04T14:36:49.057924Z",
"updated_at": "2022-09-04T14:36:49.057940Z",
"structure_string": "Ti3 Se2 S4\n1.0\n3.452714 0.000000 0.000000\n-1.726357 2.990138 0.000000\n-0.000000 -0.000000 17.652119\nTi Se S\n3 2 4\ndirect\n0.666666 0.333334 0.009709 Ti\n0.666666 0.333334 0.330035 Ti\n0.666666 0.333334 0.670768 Ti\n0.333333 0.666667 0.578322 Se\n0.333333 0.666667 0.917089 Se\n0.000000 0.000000 0.086365 S\n0.000000 0.000000 0.409738 S\n0.000000 0.000000 0.747744 S\n0.333333 0.666667 0.250231 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Se",
"S"
],
"chemical_system": "S-Se-Ti",
"density": 3.9160445606494934,
"density_atomic": 0.04938485977121381,
"volume": 182.24208880402765,
"volume_molar": 12.19430567971416,
"formula_full": "Ti3 Se2 S4",
"formula_reduced": "Ti3(SeS2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.7226168592592592,
"spacegroup": 156
},
{
"id": "jvasp-37041",
"created_at": "2022-09-04T14:38:07.103199Z",
"updated_at": "2022-09-04T14:38:07.103219Z",
"structure_string": "Ti3 Si1\n1.0\n3.140323 3.140323 -0.000000\n3.140323 -0.000000 -3.140323\n-0.000000 3.140323 -3.140323\nTi Si\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.602907940276071,
"density_atomic": 0.06458133756875092,
"volume": 61.93739787042575,
"volume_molar": 9.324893207095702,
"formula_full": "Ti3 Si1",
"formula_reduced": "Ti3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5767334,
"spacegroup": 225
}
]
}