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=3462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3460",
"results": [
{
"id": "jvasp-120172",
"created_at": "2022-09-04T14:38:53.160510Z",
"updated_at": "2022-09-04T14:38:53.160542Z",
"structure_string": "Sc2 O3 F1\n1.0\n3.229463 0.000000 0.000000\n0.000000 3.392239 3.482507\n0.000000 -3.392239 3.482507\nSc O F\n2 3 1\ndirect\n0.000000 0.013559 0.013559 Sc\n0.499999 0.491719 0.491719 Sc\n0.499999 0.195315 0.195315 O\n0.000000 0.300423 0.696089 O\n0.000000 0.696089 0.300423 O\n0.499999 0.802897 0.802897 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 3.414731940907788,
"density_atomic": 0.07863438610614477,
"volume": 76.30249687332574,
"volume_molar": 7.658406275177126,
"formula_full": "Sc2 O3 F1",
"formula_reduced": "Sc2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7141668804166663,
"spacegroup": 38
},
{
"id": "jvasp-101426",
"created_at": "2022-09-04T14:36:40.325579Z",
"updated_at": "2022-09-04T14:36:40.325599Z",
"structure_string": "Sc2 O4\n1.0\n3.265223 0.000000 0.000000\n0.000000 4.337862 -0.000000\n0.000000 0.000000 5.020475\nSc O\n2 4\ndirect\n0.000000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.780606 0.873595 O\n0.500000 0.719393 0.373595 O\n0.000000 0.219393 0.126404 O\n0.500000 0.280606 0.626404 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 3.59402358552351,
"density_atomic": 0.08437579209286918,
"volume": 71.11044354281181,
"volume_molar": 7.137285008680765,
"formula_full": "Sc2 O4",
"formula_reduced": "ScO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2548707500000005,
"spacegroup": 58
},
{
"id": "jvasp-39135",
"created_at": "2022-09-04T14:37:47.849954Z",
"updated_at": "2022-09-04T14:37:47.849980Z",
"structure_string": "Sc2 Os1 Au1\n1.0\n0.000000 3.291862 3.291862\n3.291862 -0.000000 3.291862\n3.291862 3.291862 -0.000000\nSc Os Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.749999 0.749999 0.749999 Os\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Au"
],
"chemical_system": "Au-Os-Sc",
"density": 11.104814196436434,
"density_atomic": 0.05606671792730084,
"volume": 71.34357329755984,
"volume_molar": 10.741026017982067,
"formula_full": "Sc2 Os1 Au1",
"formula_reduced": "Sc2OsAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7245682675,
"spacegroup": 225
},
{
"id": "jvasp-41873",
"created_at": "2022-09-04T14:37:30.683565Z",
"updated_at": "2022-09-04T14:37:30.683583Z",
"structure_string": "Sc2 Os1 Pd1\n1.0\n-0.000004 3.245302 3.245289\n3.245294 -0.000006 3.245292\n3.245286 3.245296 0.000003\nSc Os Pd\n2 1 1\ndirect\n0.000000 0.000001 -0.000000 Sc\n0.499999 0.499999 0.500000 Sc\n0.250000 0.250001 0.250000 Os\n0.750000 0.749999 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Pd"
],
"chemical_system": "Os-Pd-Sc",
"density": 9.390220475716246,
"density_atomic": 0.05851506898077923,
"volume": 68.35845996035486,
"volume_molar": 10.291606700452027,
"formula_full": "Sc2 Os1 Pd1",
"formula_reduced": "Sc2OsPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0098053000000005,
"spacegroup": 225
},
{
"id": "jvasp-41872",
"created_at": "2022-09-04T14:37:32.186087Z",
"updated_at": "2022-09-04T14:37:32.186098Z",
"structure_string": "Sc2 Os1 Pt1\n1.0\n-0.000000 3.242664 3.242664\n3.242664 0.000000 3.242664\n3.242664 3.242664 0.000000\nSc Os Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.250000 0.250000 0.250000 Os\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Pt"
],
"chemical_system": "Os-Pt-Sc",
"density": 11.57212947218796,
"density_atomic": 0.058657580526216044,
"volume": 68.19237963987051,
"volume_molar": 10.266602723766457,
"formula_full": "Sc2 Os1 Pt1",
"formula_reduced": "Sc2OsPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2085992249999995,
"spacegroup": 225
},
{
"id": "jvasp-110031",
"created_at": "2022-09-04T14:38:18.050713Z",
"updated_at": "2022-09-04T14:38:18.050736Z",
"structure_string": "Sc2 Os1 Rh1\n1.0\n3.936214 -0.000000 2.272574\n1.312071 3.711098 2.272574\n-0.000000 -0.000000 4.545148\nSc Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750000 0.749999 Sc\n0.499999 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Sc",
"density": 9.580151478222156,
"density_atomic": 0.06024636342209597,
"volume": 66.39404891504138,
"volume_molar": 9.995857704817613,
"formula_full": "Sc2 Os1 Rh1",
"formula_reduced": "Sc2OsRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.312757125,
"spacegroup": 225
},
{
"id": "jvasp-9586",
"created_at": "2022-09-04T14:38:08.350708Z",
"updated_at": "2022-09-04T14:38:08.350724Z",
"structure_string": "Sc2 P2 O8\n1.0\n5.288270 0.009442 -1.544817\n-2.969869 4.375588 -1.544817\n-0.004992 -0.009442 5.509286\nSc P O\n2 2 8\ndirect\n0.125000 0.875000 0.250000 Sc\n0.875000 0.125000 0.750000 Sc\n0.375000 0.625000 0.750000 P\n0.625000 0.375000 0.250000 P\n0.793457 0.724164 0.430705 O\n0.362752 0.793458 0.569294 O\n0.724164 0.793458 0.930706 O\n0.793457 0.362752 0.069294 O\n0.637248 0.206542 0.430705 O\n0.206543 0.275836 0.569295 O\n0.206543 0.637249 0.930706 O\n0.275836 0.206542 0.069294 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"P",
"O"
],
"chemical_system": "O-P-Sc",
"density": 3.645313354468305,
"density_atomic": 0.09413142776940935,
"volume": 127.48133417667906,
"volume_molar": 6.397587822371334,
"formula_full": "Sc2 P2 O8",
"formula_reduced": "ScPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.302127458333333,
"spacegroup": 141
},
{
"id": "jvasp-4510",
"created_at": "2022-09-04T14:35:50.789330Z",
"updated_at": "2022-09-04T14:35:50.789360Z",
"structure_string": "Sc2 P2 S8\n1.0\n6.238132 -0.025616 0.003045\n1.006789 6.394695 0.076440\n0.146907 0.430979 6.637896\nSc P S\n2 2 8\ndirect\n0.794900 0.303446 0.934684 Sc\n0.205100 0.696552 0.065318 Sc\n0.690539 0.734791 0.192838 P\n0.309461 0.265208 0.807164 P\n0.577953 0.237860 0.630336 S\n0.422048 0.762139 0.369666 S\n0.884587 0.963263 0.218905 S\n0.115414 0.036735 0.781096 S\n0.596057 0.718035 0.898704 S\n0.403943 0.281963 0.101298 S\n0.918488 0.469994 0.256451 S\n0.081512 0.530005 0.743550 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"P",
"S"
],
"chemical_system": "P-S-Sc",
"density": 2.56134050254481,
"density_atomic": 0.04532477889928298,
"volume": 264.75584197918363,
"volume_molar": 13.286641228591341,
"formula_full": "Sc2 P2 S8",
"formula_reduced": "ScPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2656234583333337,
"spacegroup": 2
},
{
"id": "jvasp-114420",
"created_at": "2022-09-04T14:38:41.329447Z",
"updated_at": "2022-09-04T14:38:41.329463Z",
"structure_string": "Sc2 P2 Se2\n1.0\n-1.759343 2.545384 6.486202\n1.759343 -2.545384 6.486202\n1.759343 2.545384 -6.486202\nSc P Se\n2 2 2\ndirect\n0.369521 0.869520 0.499999 Sc\n0.630480 0.130480 0.500000 Sc\n0.779355 0.500000 0.279354 P\n0.220646 0.499999 0.720645 P\n0.206866 0.206866 -0.000000 Se\n0.793134 0.793134 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"P",
"Se"
],
"chemical_system": "P-Sc-Se",
"density": 4.42738480750264,
"density_atomic": 0.05164127568377541,
"volume": 116.18613058168647,
"volume_molar": 11.661487212044277,
"formula_full": "Sc2 P2 Se2",
"formula_reduced": "ScPSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.705771372222222,
"spacegroup": 71
},
{
"id": "jvasp-44567",
"created_at": "2022-09-04T14:37:27.487695Z",
"updated_at": "2022-09-04T14:37:27.487721Z",
"structure_string": "Sc2 P4 O14\n1.0\n0.000000 5.138221 -0.168042\n8.488959 0.000000 0.000000\n0.000000 -2.334351 -6.747211\nSc P O\n2 4 14\ndirect\n0.206921 0.007921 0.725747 Sc\n0.793079 0.507921 0.274252 Sc\n0.758140 0.774067 0.897769 P\n0.388662 0.687045 0.515443 P\n0.611338 0.187045 0.484556 P\n0.241860 0.274067 0.102230 P\n0.431452 0.409710 0.088448 O\n0.412107 0.152268 0.267243 O\n0.555999 0.668458 0.372924 O\n0.835897 0.063641 0.520342 O\n0.723817 0.352792 0.484860 O\n0.276183 0.852792 0.515139 O\n0.587893 0.652268 0.732756 O\n0.444001 0.168458 0.627075 O\n0.852938 0.677537 0.083119 O\n0.568547 0.909710 0.911552 O\n0.147062 0.177537 0.916881 O\n-0.006063 0.836161 0.830155 O\n0.164103 0.563641 0.479658 O\n0.006063 0.336161 0.169845 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"P",
"O"
],
"chemical_system": "O-P-Sc",
"density": 2.442561278191499,
"density_atomic": 0.06719734662426138,
"volume": 297.6307994991437,
"volume_molar": 8.961872845475904,
"formula_full": "Sc2 P4 O14",
"formula_reduced": "ScP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.797972075,
"spacegroup": 4
},
{
"id": "jvasp-39105",
"created_at": "2022-09-04T14:37:52.467838Z",
"updated_at": "2022-09-04T14:37:52.467862Z",
"structure_string": "Sc2 Pd1 Au1\n1.0\n0.000000 3.345225 3.345225\n3.345225 -0.000000 3.345225\n3.345225 3.345225 0.000000\nSc Pd Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499998 0.499998 0.499998 Sc\n0.749999 0.749999 0.749999 Pd\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Au"
],
"chemical_system": "Au-Pd-Sc",
"density": 8.722987948055763,
"density_atomic": 0.05342616417873744,
"volume": 74.86968344981655,
"volume_molar": 11.27189430978594,
"formula_full": "Sc2 Pd1 Au1",
"formula_reduced": "Sc2PdAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5992534425000002,
"spacegroup": 225
},
{
"id": "jvasp-41871",
"created_at": "2022-09-04T14:37:30.621688Z",
"updated_at": "2022-09-04T14:37:30.621714Z",
"structure_string": "Sc2 Pd1 Pt1\n1.0\n0.000000 3.293332 3.293332\n3.293332 0.000000 3.293332\n3.293332 3.293332 0.000000\nSc Pd Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250001 0.250001 0.250001 Pd\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Pt"
],
"chemical_system": "Pd-Pt-Sc",
"density": 9.098104878103179,
"density_atomic": 0.05599167420897552,
"volume": 71.43919263908697,
"volume_molar": 10.75542184633344,
"formula_full": "Sc2 Pd1 Pt1",
"formula_reduced": "Sc2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0856019000000003,
"spacegroup": 225
}
]
}