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=1103",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1101",
"results": [
{
"id": "jvasp-29393",
"created_at": "2022-09-04T14:38:00.220967Z",
"updated_at": "2022-09-04T14:38:00.220996Z",
"structure_string": "Cr2 F4\n1.0\n2.576889 0.000000 -0.225226\n0.000000 5.051980 0.000000\n0.418754 0.000000 4.824411\nCr F\n2 4\ndirect\n0.499999 0.500000 0.499999 Cr\n0.000000 0.000000 0.000000 Cr\n0.500196 0.823832 0.260650 F\n-0.000197 0.323832 0.239350 F\n0.000195 0.676168 0.760650 F\n0.499803 0.176168 0.739349 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 4.722842120219439,
"density_atomic": 0.09481287309011875,
"volume": 63.28254597133721,
"volume_molar": 6.351606658176061,
"formula_full": "Cr2 F4",
"formula_reduced": "CrF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7075626550000003,
"spacegroup": 58
},
{
"id": "jvasp-57591",
"created_at": "2022-09-04T14:37:29.053683Z",
"updated_at": "2022-09-04T14:37:29.053702Z",
"structure_string": "Cr2 F6\n1.0\n4.370264 0.049206 2.955270\n1.594797 4.069184 2.955270\n0.071269 0.049206 5.275202\nCr F\n2 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.500000 Cr\n0.109031 0.390970 0.749999 F\n0.609030 0.250001 0.890969 F\n0.390970 0.750000 0.109031 F\n0.890969 0.609031 0.250000 F\n0.250000 0.890969 0.609030 F\n0.749999 0.109032 0.390969 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.928172929265286,
"density_atomic": 0.08681796889917207,
"volume": 92.14682284598219,
"volume_molar": 6.936514222066107,
"formula_full": "Cr2 F6",
"formula_reduced": "CrF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3960670618750002,
"spacegroup": 167
},
{
"id": "jvasp-91973",
"created_at": "2022-09-04T14:36:21.285612Z",
"updated_at": "2022-09-04T14:36:21.285639Z",
"structure_string": "Cr2 F6\n1.0\n4.286610 -0.050636 3.075310\n1.551089 3.996462 3.075310\n-0.074914 -0.050636 5.275125\nCr F\n2 6\ndirect\n0.500001 0.499999 0.500001 Cr\n0.000000 0.000000 0.000000 Cr\n0.390985 0.749999 0.109016 F\n0.750001 0.109014 0.390985 F\n0.890985 0.609014 0.250000 F\n0.250001 0.890983 0.609016 F\n0.609017 0.249999 0.890985 F\n0.109017 0.390984 0.750001 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.928366181472392,
"density_atomic": 0.08682224003601059,
"volume": 92.14228977139845,
"volume_molar": 6.936172986900872,
"formula_full": "Cr2 F6",
"formula_reduced": "CrF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3960720618750002,
"spacegroup": 167
},
{
"id": "jvasp-10029",
"created_at": "2022-09-04T14:37:27.406448Z",
"updated_at": "2022-09-04T14:37:27.406473Z",
"structure_string": "Cr2 F10\n1.0\n2.965664 -0.000000 -0.000000\n-1.482832 5.002865 0.000000\n-0.000000 -0.000000 10.235052\nCr F\n2 10\ndirect\n0.499999 0.000000 0.500000 Cr\n0.499999 0.000000 0.000000 Cr\n0.237932 0.475864 0.250000 F\n0.762067 0.524135 0.750000 F\n0.042805 0.085611 0.611316 F\n0.957194 0.914389 0.388683 F\n0.338924 0.677849 0.939015 F\n0.661075 0.322150 0.060985 F\n0.661075 0.322150 0.439015 F\n0.338924 0.677849 0.560984 F\n0.042805 0.085611 0.888683 F\n0.957194 0.914389 0.111317 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.214626599302254,
"density_atomic": 0.07902244510105154,
"volume": 151.85558969549422,
"volume_molar": 7.6207978028255985,
"formula_full": "Cr2 F10",
"formula_reduced": "CrF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.4376398020833332,
"spacegroup": 63
},
{
"id": "jvasp-11302",
"created_at": "2022-09-04T14:36:32.233922Z",
"updated_at": "2022-09-04T14:36:32.233940Z",
"structure_string": "Cr2 F10\n1.0\n5.203657 0.692458 -0.231623\n2.375387 4.682944 -0.221316\n2.440083 1.716619 6.431747\nCr F\n2 10\ndirect\n0.001469 0.000136 0.001185 Cr\n0.001464 0.000141 0.501181 Cr\n0.854694 0.146802 0.751162 F\n0.148234 0.853447 0.251198 F\n0.965378 0.672176 0.631199 F\n0.329443 0.036211 0.871142 F\n0.210298 0.611739 0.963871 F\n0.389880 0.791247 0.538697 F\n0.792650 0.388536 0.038493 F\n0.613066 0.209041 0.463632 F\n0.673486 0.964077 0.131225 F\n0.037568 0.328092 0.371143 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.266205385581863,
"density_atomic": 0.08029036275221638,
"volume": 149.45753872146688,
"volume_molar": 7.500452798531866,
"formula_full": "Cr2 F10",
"formula_reduced": "CrF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3732598020833333,
"spacegroup": 15
},
{
"id": "jvasp-93511",
"created_at": "2022-09-04T14:35:46.213332Z",
"updated_at": "2022-09-04T14:35:46.213366Z",
"structure_string": "Cr1 F5\n1.0\n2.798938 -0.000000 1.029283\n1.074206 5.166495 1.399132\n-0.413127 0.015114 5.443644\nCr F\n1 5\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500002 0.821605 0.178394 F\n0.500000 0.178394 0.821605 F\n0.785058 0.214942 0.214942 F\n0.214944 0.785056 0.785056 F\n0.000000 0.499999 0.500000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.018046512578805,
"density_atomic": 0.07419008319798152,
"volume": 80.87334238443394,
"volume_molar": 8.11717752617892,
"formula_full": "Cr1 F5",
"formula_reduced": "CrF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.4397098020833332,
"spacegroup": 71
},
{
"id": "jvasp-100055",
"created_at": "2022-09-04T14:36:21.968561Z",
"updated_at": "2022-09-04T14:36:21.968582Z",
"structure_string": "Cr1 F6\n1.0\n4.345692 0.077647 2.886461\n1.587981 4.045910 2.886461\n0.111732 0.077647 5.215766\nCr F\n1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.919684 0.221672 0.629024 F\n0.221670 0.629025 0.919686 F\n0.370975 0.080315 0.778330 F\n0.778328 0.370977 0.080314 F\n0.080314 0.778329 0.370976 F\n0.629023 0.919686 0.221671 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.0912353918010664,
"density_atomic": 0.07850696745442151,
"volume": 89.16406055378414,
"volume_molar": 7.670836048400739,
"formula_full": "Cr1 F6",
"formula_reduced": "CrF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.3371055850000002,
"spacegroup": 148
},
{
"id": "jvasp-8238",
"created_at": "2022-09-04T14:37:05.402543Z",
"updated_at": "2022-09-04T14:37:05.402568Z",
"structure_string": "Cr1 F6\n1.0\n4.659804 -0.005652 2.961432\n1.623973 4.367668 2.961432\n-0.008141 -0.005652 5.521213\nCr F\n1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.312937 0.122080 0.784260 F\n0.122079 0.784261 0.312937 F\n0.215739 0.687063 0.877920 F\n0.877919 0.215740 0.687062 F\n0.687061 0.877921 0.215739 F\n0.784259 0.312938 0.122079 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 2.448336659673546,
"density_atomic": 0.062179504986344225,
"volume": 112.5772873479345,
"volume_molar": 9.685089582688981,
"formula_full": "Cr1 F6",
"formula_reduced": "CrF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.3403741564285716,
"spacegroup": 148
},
{
"id": "jvasp-36167",
"created_at": "2022-09-04T14:37:31.520672Z",
"updated_at": "2022-09-04T14:37:31.520692Z",
"structure_string": "Cr1 Fe2 Sb1\n1.0\n2.977608 2.977608 -0.000000\n2.977608 0.000000 -2.977608\n-0.000000 2.977608 -2.977608\nCr Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"Sb"
],
"chemical_system": "Cr-Fe-Sb",
"density": 8.977194767310623,
"density_atomic": 0.07575781282331433,
"volume": 52.79983477517988,
"volume_molar": 7.949200928021906,
"formula_full": "Cr1 Fe2 Sb1",
"formula_reduced": "CrFe2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.370003625,
"spacegroup": 225
},
{
"id": "jvasp-35720",
"created_at": "2022-09-04T14:37:31.628279Z",
"updated_at": "2022-09-04T14:37:31.628308Z",
"structure_string": "Cr1 Fe2 Si1\n1.0\n2.797383 2.797383 -0.000000\n2.797383 0.000000 -2.797383\n0.000000 2.797383 -2.797383\nCr Fe Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Fe\n0.499999 0.499999 0.499999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"Si"
],
"chemical_system": "Cr-Fe-Si",
"density": 7.273569611626563,
"density_atomic": 0.09136380995728437,
"volume": 43.78101134212916,
"volume_molar": 6.591385322936458,
"formula_full": "Cr1 Fe2 Si1",
"formula_reduced": "CrFe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.63603425,
"spacegroup": 225
},
{
"id": "jvasp-36168",
"created_at": "2022-09-04T14:37:31.784324Z",
"updated_at": "2022-09-04T14:37:31.784353Z",
"structure_string": "Cr1 Fe2 Sn1\n1.0\n2.977376 2.977376 0.000000\n2.977376 0.000000 -2.977376\n-0.000000 2.977376 -2.977376\nCr Fe Sn\n1 2 1\ndirect\n0.500001 0.500001 0.500001 Cr\n0.250000 0.250000 0.250000 Fe\n0.750001 0.750001 0.750001 Fe\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"Sn"
],
"chemical_system": "Cr-Fe-Sn",
"density": 8.88334945017486,
"density_atomic": 0.07577552356807896,
"volume": 52.78749405678843,
"volume_molar": 7.9473429894410845,
"formula_full": "Cr1 Fe2 Sn1",
"formula_reduced": "CrFe2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.069392525,
"spacegroup": 225
},
{
"id": "jvasp-35719",
"created_at": "2022-09-04T14:37:31.322002Z",
"updated_at": "2022-09-04T14:37:31.322024Z",
"structure_string": "Cr1 Fe3\n1.0\n2.820323 2.820323 0.000000\n2.820323 -0.000000 -2.820323\n0.000000 2.820323 -2.820323\nCr Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Fe\n0.749999 0.749999 0.749999 Fe\n0.499999 0.499999 0.499999 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe",
"density": 8.124910915762074,
"density_atomic": 0.08915248402452074,
"volume": 44.86694951651408,
"volume_molar": 6.754877136506543,
"formula_full": "Cr1 Fe3",
"formula_reduced": "CrFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.780370975,
"spacegroup": 225
}
]
}