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=-volume&page=1549",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1547",
"results": [
{
"id": "jvasp-42418",
"created_at": "2022-09-04T14:37:29.695813Z",
"updated_at": "2022-09-04T14:37:29.695824Z",
"structure_string": "V4 O8 F4\n1.0\n4.969930 0.001454 0.028776\n2.333887 4.401398 0.026227\n2.180550 1.217621 8.597302\nV O F\n4 8 4\ndirect\n0.000000 0.000000 0.000000 V\n0.212494 0.312189 0.250298 V\n0.500000 0.500000 0.500000 V\n0.787506 0.687810 0.749703 V\n0.222389 0.621691 0.120827 O\n0.126923 0.519711 0.627260 O\n0.044905 0.195155 0.127282 O\n0.530486 0.716168 0.623917 O\n0.469515 0.283831 0.376083 O\n0.955097 0.804844 0.872719 O\n0.873078 0.480288 0.372741 O\n0.777611 0.378308 0.879174 O\n0.272472 0.869016 0.377173 F\n0.372630 0.984734 0.872310 F\n0.627371 0.015265 0.127691 F\n0.727529 0.130983 0.622828 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.607685109123665,
"density_atomic": 0.08525118280063311,
"volume": 187.68068048295956,
"volume_molar": 7.063996723756045,
"formula_full": "V4 O8 F4",
"formula_reduced": "VO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6319803706250002,
"spacegroup": 2
},
{
"id": "jvasp-26494",
"created_at": "2022-09-04T14:37:50.329231Z",
"updated_at": "2022-09-04T14:37:50.329250Z",
"structure_string": "K1 Rb2 Mo1 F6\n1.0\n5.565460 0.000000 3.213218\n1.855153 5.247165 3.213218\n0.000000 0.000000 6.426439\nK Rb Mo F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.000000 0.000000 0.000000 Mo\n0.226604 0.773396 0.773396 F\n0.226604 0.773396 0.226605 F\n0.773395 0.226605 0.773396 F\n0.226604 0.226605 0.773396 F\n0.773395 0.226605 0.226605 F\n0.773395 0.773396 0.226605 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Mo",
"F"
],
"chemical_system": "F-K-Mo-Rb",
"density": 3.7159110953258865,
"density_atomic": 0.0532848593377157,
"volume": 187.67057142106168,
"volume_molar": 11.301785976072667,
"formula_full": "K1 Rb2 Mo1 F6",
"formula_reduced": "KRb2MoF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90451",
"created_at": "2022-09-04T14:36:15.739350Z",
"updated_at": "2022-09-04T14:36:15.739381Z",
"structure_string": "K1 Mg6 Nb1\n1.0\n6.513631 0.000549 0.000000\n-3.256341 5.641245 0.000000\n0.000000 0.000000 5.107034\nK Mg Nb\n1 6 1\ndirect\n0.083335 0.416664 0.250000 K\n0.108133 0.929077 0.250000 Mg\n0.570922 0.391867 0.250000 Mg\n0.570995 0.929004 0.250000 Mg\n0.432519 0.591309 0.749999 Mg\n0.908690 0.067481 0.749999 Mg\n0.908722 0.591277 0.749999 Mg\n0.416682 0.083318 0.749999 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Nb"
],
"chemical_system": "K-Mg-Nb",
"density": 2.458371770468137,
"density_atomic": 0.04262869083812203,
"volume": 187.66703463587842,
"volume_molar": 14.126966232363191,
"formula_full": "K1 Mg6 Nb1",
"formula_reduced": "KMg6Nb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0006325000000008,
"spacegroup": 187
},
{
"id": "jvasp-110587",
"created_at": "2022-09-04T14:38:38.147157Z",
"updated_at": "2022-09-04T14:38:38.147166Z",
"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n5.330151 -0.011364 2.519372\n-1.207346 5.191624 2.519372\n-0.009021 -0.011335 6.773984\nGa Ag Se S\n2 2 2 2\ndirect\n0.249145 0.492921 0.501402 Ga\n0.492921 0.249146 0.001402 Ga\n0.735316 0.032876 0.498131 Ag\n0.032875 0.735315 -0.001868 Ag\n0.870663 0.605528 0.742395 Se\n0.605528 0.870663 0.242396 Se\n0.362605 0.160944 0.758070 S\n0.160944 0.362605 0.258071 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Ag",
"Se",
"S"
],
"chemical_system": "Ag-Ga-S-Se",
"density": 5.1076601382007025,
"density_atomic": 0.04262969066478645,
"volume": 187.6626331377128,
"volume_molar": 14.126634901844335,
"formula_full": "Ga2 Ag2 Se2 S2",
"formula_reduced": "GaAgSeS",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.5226282379166667,
"spacegroup": 9
},
{
"id": "jvasp-8051",
"created_at": "2022-09-04T14:37:07.085313Z",
"updated_at": "2022-09-04T14:37:07.085330Z",
"structure_string": "Zn2 Ge2 As4\n1.0\n5.233855 -0.000000 -2.372554\n-1.075500 5.122162 -2.372554\n0.012040 0.014831 6.985780\nZn Ge As\n2 2 4\ndirect\n0.250000 0.750000 0.500001 Zn\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500001 Ge\n0.500000 0.500000 0.000001 Ge\n0.875554 0.875000 0.250001 As\n0.625001 0.124447 0.750001 As\n0.125000 0.625553 0.750000 As\n0.374447 0.375000 0.250000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-Zn",
"density": 5.095253452204058,
"density_atomic": 0.042633087673306355,
"volume": 187.64768016108297,
"volume_molar": 14.125509290218766,
"formula_full": "Zn2 Ge2 As4",
"formula_reduced": "ZnGeAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9253249625,
"spacegroup": 122
},
{
"id": "jvasp-85223",
"created_at": "2022-09-04T14:37:08.864085Z",
"updated_at": "2022-09-04T14:37:08.864102Z",
"structure_string": "La2 Ge1 I2\n1.0\n4.461463 -0.000000 0.000000\n-2.230732 3.863740 -0.000000\n-0.000000 -0.000000 10.885644\nLa Ge I\n2 1 2\ndirect\n0.666667 0.333333 0.655467 La\n0.333333 0.666667 0.344533 La\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.844519 I\n0.666667 0.333333 0.155480 I\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Ge",
"I"
],
"chemical_system": "Ge-I-La",
"density": 5.3472875722020925,
"density_atomic": 0.02664591802382116,
"volume": 187.64600249576893,
"volume_molar": 22.600612801616638,
"formula_full": "La2 Ge1 I2",
"formula_reduced": "La2GeI2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5690297000000001,
"spacegroup": 164
},
{
"id": "jvasp-48434",
"created_at": "2022-09-04T14:36:01.610427Z",
"updated_at": "2022-09-04T14:36:01.610448Z",
"structure_string": "V4 O4 F8\n1.0\n0.000000 5.189698 0.050483\n4.895377 0.000000 0.000000\n0.000000 -0.420633 -7.390078\nV O F\n4 4 8\ndirect\n0.500001 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.294281 0.204717 0.543856 O\n0.705720 0.204717 0.956145 O\n0.294281 0.795283 0.043856 O\n0.705720 0.795283 0.456145 O\n0.000000 0.128042 0.250000 F\n0.191767 0.307335 0.925279 F\n0.808234 0.307335 0.574722 F\n0.500000 0.375481 0.250000 F\n0.500001 0.624520 0.750000 F\n0.191767 0.692666 0.425279 F\n0.808234 0.692666 0.074722 F\n0.000000 0.871958 0.750000 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.7145305204626546,
"density_atomic": 0.08526744647535983,
"volume": 187.64488279385264,
"volume_molar": 7.062649356739267,
"formula_full": "V4 O4 F8",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.92988706625,
"spacegroup": 13
},
{
"id": "jvasp-30425",
"created_at": "2022-09-04T14:38:07.027334Z",
"updated_at": "2022-09-04T14:38:07.027357Z",
"structure_string": "Fe4 S8\n1.0\n0.000000 6.090093 -0.027851\n0.000000 0.012559 5.613845\n5.488413 0.000000 0.000000\nFe S\n4 8\ndirect\n0.412822 0.017234 0.000503 Fe\n0.412823 0.517235 0.499497 Fe\n0.587178 0.483831 0.000503 Fe\n0.587178 0.983832 0.499497 Fe\n0.733180 0.343725 0.351967 S\n0.260849 0.863525 0.656537 S\n0.733180 0.843725 0.148033 S\n0.260848 0.363524 0.843462 S\n0.266820 0.657344 0.148032 S\n0.266820 0.157344 0.351967 S\n0.739150 0.637544 0.656537 S\n0.739150 0.137544 0.843462 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 4.246824144127581,
"density_atomic": 0.06395075504331983,
"volume": 187.64438343020777,
"volume_molar": 9.41684074866769,
"formula_full": "Fe4 S8",
"formula_reduced": "FeS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0801151666666664,
"spacegroup": 13
},
{
"id": "jvasp-61342",
"created_at": "2022-09-04T14:35:57.870346Z",
"updated_at": "2022-09-04T14:35:57.870373Z",
"structure_string": "Zn2 Ge2 As4\n1.0\n5.746367 0.000091 -0.000925\n0.000017 5.746367 -0.000886\n-2.872386 -2.872460 5.683341\nZn Ge As\n2 2 4\ndirect\n0.000055 -0.000033 0.000003 Zn\n0.249967 0.750056 0.500002 Zn\n0.500012 0.499967 -0.000001 Ge\n0.749967 0.250012 0.499999 Ge\n0.875530 0.875017 0.249985 As\n0.374425 0.375027 0.250012 As\n0.625029 0.124424 0.750011 As\n0.125012 0.625530 0.749984 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-Zn",
"density": 5.095510948135339,
"density_atomic": 0.04263524219745649,
"volume": 187.638197596008,
"volume_molar": 14.124795473448174,
"formula_full": "Zn2 Ge2 As4",
"formula_reduced": "ZnGeAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9253324625,
"spacegroup": 122
},
{
"id": "jvasp-101883",
"created_at": "2022-09-04T14:36:49.387826Z",
"updated_at": "2022-09-04T14:36:49.387850Z",
"structure_string": "Sn1 H8 C5 O6\n1.0\n4.790779 -0.034172 -0.264289\n0.679278 5.451084 -0.726560\n0.016354 0.276469 7.142534\nSn H C O\n1 8 5 6\ndirect\n0.968867 0.600476 0.644604 Sn\n0.387413 0.159310 0.363610 H\n0.330194 0.910915 0.204722 H\n0.691310 -0.005415 0.997035 H\n0.841062 0.189007 0.175464 H\n0.432607 0.495209 0.171525 H\n0.231085 0.300873 0.023321 H\n0.293410 0.910992 0.702696 H\n0.989539 0.155594 0.598191 H\n0.497548 0.016735 0.267659 C\n0.642892 0.128515 0.117357 C\n0.543004 0.445948 0.884131 C\n0.683752 0.855457 0.390498 C\n0.443933 0.349852 0.055394 C\n0.586829 0.814377 0.550525 O\n0.104268 0.915076 0.752194 O\n0.938467 0.280590 0.506748 O\n0.396347 0.440530 0.730636 O\n0.787627 0.523507 0.895727 O\n0.928533 0.753935 0.351831 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.5030171090338573,
"density_atomic": 0.10659316233782368,
"volume": 187.6292959262657,
"volume_molar": 5.6496501538383335,
"formula_full": "Sn1 H8 C5 O6",
"formula_reduced": "SnH8C5O6",
"formula_anonymous": "AB5C6D8",
"energy_above_hull": 4.112901635,
"spacegroup": 1
},
{
"id": "jvasp-106754",
"created_at": "2022-09-04T14:36:52.608730Z",
"updated_at": "2022-09-04T14:36:52.608754Z",
"structure_string": "Pr2 Nd2 Sb2\n1.0\n4.458450 0.008928 -8.376025\n-0.269824 4.450287 -8.376025\n-0.008386 -0.008928 9.488704\nPr Nd Sb\n2 2 2\ndirect\n0.679034 0.679034 0.000002 Pr\n0.320967 0.320967 0.000001 Pr\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.862181 0.862181 0.000002 Sb\n0.137820 0.137820 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Nd",
"Sb"
],
"chemical_system": "Nd-Pr-Sb",
"density": 7.202501416701771,
"density_atomic": 0.031978458144553794,
"volume": 187.6263068368683,
"volume_molar": 18.83186716750952,
"formula_full": "Pr2 Nd2 Sb2",
"formula_reduced": "PrNdSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1659624833333335,
"spacegroup": 139
},
{
"id": "jvasp-15230",
"created_at": "2022-09-04T14:36:10.736989Z",
"updated_at": "2022-09-04T14:36:10.737011Z",
"structure_string": "K2 Te2 Au2\n1.0\n2.375877 -4.115140 0.000000\n2.375877 4.115140 -0.000000\n-0.000000 -0.000000 9.594918\nK Te Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.333334 0.666668 0.250000 Te\n0.666668 0.333334 0.750000 Te\n0.666668 0.333334 0.250000 Au\n0.333334 0.666668 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Te",
"Au"
],
"chemical_system": "Au-K-Te",
"density": 6.437253482903155,
"density_atomic": 0.031979481577506824,
"volume": 187.62030226969586,
"volume_molar": 18.831264495030933,
"formula_full": "K2 Te2 Au2",
"formula_reduced": "KTeAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}