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=-structure_string&page=605",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=603",
"results": [
{
"id": "jvasp-91939",
"created_at": "2022-09-04T14:35:45.181846Z",
"updated_at": "2022-09-04T14:35:45.181876Z",
"structure_string": "Ti2 Co6\n1.0\n0.000000 0.000000 -4.069030\n-2.546509 -4.410606 0.000000\n-2.546749 4.410745 0.000000\nTi Co\n2 6\ndirect\n0.750000 0.666693 0.333399 Ti\n0.250000 0.333308 0.666601 Ti\n0.750000 0.161024 0.322066 Co\n0.750000 0.161041 0.839001 Co\n0.750000 0.677906 0.838990 Co\n0.250000 0.838977 0.677933 Co\n0.250000 0.838960 0.160998 Co\n0.250000 0.322096 0.161009 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Co"
],
"chemical_system": "Co-Ti",
"density": 8.162550897282745,
"density_atomic": 0.08751818697219843,
"volume": 91.40957184752159,
"volume_molar": 6.881016355963854,
"formula_full": "Ti2 Co6",
"formula_reduced": "TiCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.349820258333333,
"spacegroup": 194
},
{
"id": "jvasp-13337",
"created_at": "2022-09-04T14:36:55.778310Z",
"updated_at": "2022-09-04T14:36:55.778330Z",
"structure_string": "Ti2 Co4 O8\n1.0\n5.968908 -0.009129 -0.085785\n2.976547 5.173789 -0.085785\n2.911775 1.681114 4.754909\nTi Co O\n2 4 8\ndirect\n0.125000 0.624999 0.625001 Ti\n0.625000 0.124999 0.625001 Ti\n0.009817 0.009816 0.990183 Co\n0.240183 0.240182 0.259818 Co\n0.625000 0.624999 0.125001 Co\n0.625000 0.624999 0.625001 Co\n0.374864 0.374863 0.395662 O\n0.367124 0.847000 0.392939 O\n0.374864 0.374863 0.854611 O\n0.847001 0.367123 0.392939 O\n0.402999 0.882875 0.857064 O\n0.882876 0.402998 0.857064 O\n0.875136 0.875135 0.395391 O\n0.875136 0.875135 0.854341 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Co",
"O"
],
"chemical_system": "Co-O-Ti",
"density": 5.1309740486245445,
"density_atomic": 0.09415191906490979,
"volume": 148.6958538821517,
"volume_molar": 6.396195446476501,
"formula_full": "Ti2 Co4 O8",
"formula_reduced": "Ti(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.004512019047619,
"spacegroup": 74
},
{
"id": "jvasp-18941",
"created_at": "2022-09-04T14:36:33.517525Z",
"updated_at": "2022-09-04T14:36:33.517545Z",
"structure_string": "Ti2 Co4\n1.0\n4.055977 0.000000 2.341720\n1.351992 3.824012 2.341720\n-0.000000 -0.000000 4.683439\nTi Co\n2 4\ndirect\n0.125000 0.125000 0.125000 Ti\n0.875000 0.874999 0.875000 Ti\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Co"
],
"chemical_system": "Co-Ti",
"density": 7.577213227403077,
"density_atomic": 0.08259840332667606,
"volume": 72.64062933843945,
"volume_molar": 7.290868246184468,
"formula_full": "Ti2 Co4",
"formula_reduced": "TiCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.9636133777777776,
"spacegroup": 227
},
{
"id": "jvasp-93895",
"created_at": "2022-09-04T14:36:10.550306Z",
"updated_at": "2022-09-04T14:36:10.550333Z",
"structure_string": "Ti2 Co4\n1.0\n-3.311652 -3.311652 0.000000\n-3.311652 -0.000000 -3.311652\n-0.000000 -3.311652 -3.311652\nTi Co\n2 4\ndirect\n0.125000 0.125000 0.125000 Ti\n0.874999 0.874999 0.874999 Ti\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Co"
],
"chemical_system": "Co-Ti",
"density": 7.577484056084549,
"density_atomic": 0.08260135560160792,
"volume": 72.63803307222241,
"volume_molar": 7.290607661507644,
"formula_full": "Ti2 Co4",
"formula_reduced": "TiCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.963616711111112,
"spacegroup": 227
},
{
"id": "jvasp-42681",
"created_at": "2022-09-04T14:37:00.473200Z",
"updated_at": "2022-09-04T14:37:00.473233Z",
"structure_string": "Ti2 Co3 Te3 O16\n1.0\n6.125802 0.003733 0.012116\n-3.059668 5.299539 -0.000005\n0.005402 0.003046 9.050168\nTi Co Te O\n2 3 3 16\ndirect\n0.365315 0.682664 0.509898 Ti\n0.710941 0.355481 0.971924 Ti\n0.653735 0.826876 0.204927 Co\n0.840462 0.667160 0.704021 Co\n0.840462 0.173320 0.704018 Co\n0.155967 0.826142 0.214784 Te\n0.155967 0.329843 0.214780 Te\n0.341519 0.170769 0.713369 Te\n0.832944 0.664661 0.103317 O\n0.654403 0.327209 0.597620 O\n0.518980 0.049790 0.846250 O\n0.518978 0.469206 0.846251 O\n0.663436 0.831723 0.598911 O\n0.320358 0.160189 0.102766 O\n0.458511 0.515136 0.335979 O\n-0.007534 -0.003753 0.325026 O\n0.189332 0.348092 0.598803 O\n0.014672 0.007348 0.809183 O\n0.961413 0.480717 0.840786 O\n0.306899 0.653456 0.091930 O\n0.022443 0.511228 0.343090 O\n0.189330 0.841256 0.598803 O\n0.458513 0.943390 0.335981 O\n0.832949 0.168301 0.103314 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te-Ti",
"density": 5.148872265620267,
"density_atomic": 0.08165851194940064,
"volume": 293.90689870605894,
"volume_molar": 7.374786309762287,
"formula_full": "Ti2 Co3 Te3 O16",
"formula_reduced": "Ti2Co3Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.0669861944444445,
"spacegroup": 8
},
{
"id": "jvasp-23231",
"created_at": "2022-09-04T14:37:49.977000Z",
"updated_at": "2022-09-04T14:37:49.977025Z",
"structure_string": "Ti2 Co2 O6\n1.0\n4.387669 -0.028045 3.020310\n1.572807 4.096182 3.020310\n-0.041090 -0.028045 5.326559\nTi Co O\n2 2 6\ndirect\n0.855373 0.855374 0.855372 Ti\n0.144627 0.144627 0.144627 Ti\n0.656935 0.656936 0.656934 Co\n0.343065 0.343066 0.343065 Co\n0.560775 0.938998 0.254031 O\n0.254031 0.560775 0.938997 O\n0.938998 0.254033 0.560774 O\n0.439225 0.061004 0.745968 O\n0.745969 0.439227 0.061002 O\n0.061003 0.745969 0.439225 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Co",
"O"
],
"chemical_system": "Co-O-Ti",
"density": 5.315438104284137,
"density_atomic": 0.10339356708488069,
"volume": 96.71781602999077,
"volume_molar": 5.824483021323889,
"formula_full": "Ti2 Co2 O6",
"formula_reduced": "TiCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.612763946666667,
"spacegroup": 148
},
{
"id": "jvasp-79869",
"created_at": "2022-09-04T14:36:50.340877Z",
"updated_at": "2022-09-04T14:36:50.340904Z",
"structure_string": "Ti2 Co1 Tc1\n1.0\n0.000001 3.031267 3.031267\n3.031267 -0.000000 3.031267\n3.031267 3.031267 -0.000000\nTi Co Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Co\n0.750002 0.750002 0.750002 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Tc"
],
"chemical_system": "Co-Tc-Ti",
"density": 7.531742397619443,
"density_atomic": 0.07180546394588132,
"volume": 55.70606720144221,
"volume_molar": 8.386744446827608,
"formula_full": "Ti2 Co1 Tc1",
"formula_reduced": "Ti2CoTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9608997666666665,
"spacegroup": 225
},
{
"id": "jvasp-37052",
"created_at": "2022-09-04T14:38:02.136377Z",
"updated_at": "2022-09-04T14:38:02.136389Z",
"structure_string": "Ti2 Co1 Si1\n1.0\n3.010838 3.010838 -0.000000\n3.010838 -0.000000 -3.010838\n0.000000 3.010838 -3.010838\nTi Co Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Si"
],
"chemical_system": "Co-Si-Ti",
"density": 5.5593078742461834,
"density_atomic": 0.07327702512612795,
"volume": 54.58736886650361,
"volume_molar": 8.21832047580316,
"formula_full": "Ti2 Co1 Si1",
"formula_reduced": "Ti2CoSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4317015416666665,
"spacegroup": 216
},
{
"id": "jvasp-35503",
"created_at": "2022-09-04T14:37:34.084209Z",
"updated_at": "2022-09-04T14:37:34.084236Z",
"structure_string": "Ti2 Co1 Se4\n1.0\n0.000000 3.579891 -0.000000\n0.003491 -0.000000 6.159716\n5.844752 -1.789946 -3.033524\nTi Co Se\n2 1 4\ndirect\n0.252140 0.265118 0.504281 Ti\n0.747858 0.734883 0.495718 Ti\n0.000000 0.000000 0.000000 Co\n0.114168 0.449898 0.228336 Se\n0.885830 0.550103 0.771663 Se\n0.380093 0.045038 0.760189 Se\n0.619905 0.954963 0.239811 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Se"
],
"chemical_system": "Co-Se-Ti",
"density": 6.060257201346915,
"density_atomic": 0.05429673683236417,
"volume": 128.921191371257,
"volume_molar": 11.091165162637244,
"formula_full": "Ti2 Co1 Se4",
"formula_reduced": "Ti2CoSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5557187190476194,
"spacegroup": 12
},
{
"id": "jvasp-35447",
"created_at": "2022-09-04T14:37:51.320219Z",
"updated_at": "2022-09-04T14:37:51.320238Z",
"structure_string": "Ti2 Co1 S4\n1.0\n0.000000 3.379135 -0.000000\n0.018927 -0.000000 5.839505\n5.545135 -1.689568 -2.874506\nTi Co S\n2 1 4\ndirect\n0.257319 0.265893 0.514637 Ti\n0.742682 0.734105 0.485363 Ti\n0.000000 0.000000 0.000000 Co\n0.114268 0.443087 0.228535 S\n0.885733 0.556911 0.771465 S\n0.379843 0.039645 0.759686 S\n0.620157 0.960353 0.240313 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Co",
"S"
],
"chemical_system": "Co-S-Ti",
"density": 4.286482035780822,
"density_atomic": 0.06386681469599598,
"volume": 109.60308625566782,
"volume_molar": 9.429217330886472,
"formula_full": "Ti2 Co1 S4",
"formula_reduced": "Ti2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.839876795238095,
"spacegroup": 12
},
{
"id": "jvasp-79829",
"created_at": "2022-09-04T14:37:14.131854Z",
"updated_at": "2022-09-04T14:37:14.131882Z",
"structure_string": "Ti2 Co1 Re1\n1.0\n0.000005 3.045968 3.045971\n3.045977 -0.000003 3.045977\n3.045966 3.045964 0.000010\nTi Co Re\n2 1 1\ndirect\n-0.000001 1.000001 1.000000 Ti\n0.499999 0.500000 0.499999 Ti\n0.249999 0.250000 0.250002 Co\n0.750001 0.750001 0.750000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Re"
],
"chemical_system": "Co-Re-Ti",
"density": 10.01467831863397,
"density_atomic": 0.07077074581345259,
"volume": 56.520529125745796,
"volume_molar": 8.509364555623023,
"formula_full": "Ti2 Co1 Re1",
"formula_reduced": "Ti2CoRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.343248891666667,
"spacegroup": 225
},
{
"id": "jvasp-41695",
"created_at": "2022-09-04T14:37:35.650707Z",
"updated_at": "2022-09-04T14:37:35.650726Z",
"structure_string": "Ti2 Co1 Ir1\n1.0\n0.000000 3.048915 3.048915\n3.048915 -0.000000 3.048915\n3.048915 3.048915 0.000000\nTi Co Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499998 0.499998 0.499998 Ti\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Ir"
],
"chemical_system": "Co-Ir-Ti",
"density": 10.161730286007225,
"density_atomic": 0.07056576350345209,
"volume": 56.684712265662924,
"volume_molar": 8.534082905098018,
"formula_full": "Ti2 Co1 Ir1",
"formula_reduced": "Ti2CoIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.720599666666668,
"spacegroup": 225
}
]
}