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=energy_above_hull&page=1112",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1110",
"results": [
{
"id": "jvasp-1154",
"created_at": "2022-09-04T14:37:18.610052Z",
"updated_at": "2022-09-04T14:37:18.610085Z",
"structure_string": "Ge4 Te4\n1.0\n6.032159 0.000000 0.000000\n0.000000 6.032159 0.000000\n0.000000 0.000000 6.032159\nGe Te\n4 4\ndirect\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 6.059566891557871,
"density_atomic": 0.036447827385345445,
"volume": 219.491820881937,
"volume_molar": 16.52263301274665,
"formula_full": "Ge4 Te4",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5241618583333334,
"spacegroup": 225
},
{
"id": "jvasp-32634",
"created_at": "2022-09-04T14:38:14.019605Z",
"updated_at": "2022-09-04T14:38:14.019626Z",
"structure_string": "Sb2 Cl2 O4 F12\n1.0\n5.737595 0.000000 0.000000\n0.000000 7.091002 0.172594\n0.000000 0.176385 7.126359\nSb Cl O F\n2 2 4 12\ndirect\n-0.007806 0.249999 0.750000 Sb\n0.007806 0.750000 0.250000 Sb\n0.629186 0.250000 0.250000 Cl\n0.370815 0.749999 0.750000 Cl\n0.499778 0.719025 0.918715 O\n0.500223 0.219026 0.418715 O\n0.500223 0.280974 0.081284 O\n0.499778 0.780974 0.581284 O\n0.756799 0.933242 0.212009 F\n0.001220 0.789651 0.513776 F\n0.243202 0.066757 0.787990 F\n-0.001220 0.289652 0.013777 F\n0.756799 0.566757 0.287990 F\n0.243202 0.433242 0.712010 F\n0.762713 0.057695 0.789493 F\n0.001220 0.710348 -0.013777 F\n0.237288 0.557695 0.289492 F\n0.762713 0.442304 0.710507 F\n-0.001220 0.210348 0.486223 F\n0.237288 0.942304 0.210507 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sb",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-O-Sb",
"density": 3.4751054610638583,
"density_atomic": 0.06902183732302768,
"volume": 289.76336730067635,
"volume_molar": 8.724978924881272,
"formula_full": "Sb2 Cl2 O4 F12",
"formula_reduced": "SbCl(OF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.5242808862500002,
"spacegroup": 13
},
{
"id": "jvasp-78377",
"created_at": "2022-09-04T14:37:57.438207Z",
"updated_at": "2022-09-04T14:37:57.438227Z",
"structure_string": "Ge1 Te1\n1.0\n2.132419 3.693456 0.000000\n-2.132419 3.693456 0.000000\n0.000000 2.462305 3.482130\nGe Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 6.062049586216335,
"density_atomic": 0.03646276060218777,
"volume": 54.85048216234071,
"volume_molar": 16.51586621677425,
"formula_full": "Ge1 Te1",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5242868583333334,
"spacegroup": 225
},
{
"id": "jvasp-3039",
"created_at": "2022-09-04T14:36:56.194285Z",
"updated_at": "2022-09-04T14:36:56.194320Z",
"structure_string": "Ba4 Sb2 O1\n1.0\n5.113683 -0.000000 -1.401941\n-0.384348 5.099218 -1.401941\n-0.043997 -0.047437 9.866756\nBa Sb O\n4 2 1\ndirect\n0.670423 0.670424 0.340849 Ba\n0.329576 0.329576 0.659152 Ba\n-0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.862290 0.862291 0.724581 Sb\n0.137709 0.137709 0.275419 Sb\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb",
"density": 5.234109737247725,
"density_atomic": 0.027279468921700318,
"volume": 256.6032359387916,
"volume_molar": 22.07572580421277,
"formula_full": "Ba4 Sb2 O1",
"formula_reduced": "Ba4Sb2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5243285114285714,
"spacegroup": 139
},
{
"id": "jvasp-79803",
"created_at": "2022-09-04T14:37:15.051990Z",
"updated_at": "2022-09-04T14:37:15.052010Z",
"structure_string": "Ho1 Tl1 Se2\n1.0\n-2.071082 -3.587218 -0.000000\n2.071082 -3.587218 -0.000000\n0.000000 -2.391479 7.728260\nHo Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Tl\n0.265262 0.265262 0.204216 Se\n0.734739 0.734739 0.795784 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Tl",
"Se"
],
"chemical_system": "Ho-Se-Tl",
"density": 7.624044262682946,
"density_atomic": 0.03483318664406393,
"volume": 114.83301946713098,
"volume_molar": 17.288515178172077,
"formula_full": "Ho1 Tl1 Se2",
"formula_reduced": "HoTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5243712250000002,
"spacegroup": 166
},
{
"id": "jvasp-66386",
"created_at": "2022-09-04T14:36:04.142430Z",
"updated_at": "2022-09-04T14:36:04.142456Z",
"structure_string": "Ba4 Ge1 Pt1\n1.0\n-0.000000 4.766280 4.766280\n4.766280 -0.000000 4.766280\n4.766280 4.766280 -0.000000\nBa Ge Pt\n4 1 1\ndirect\n0.124281 0.625240 0.625240 Ba\n0.625240 0.625240 0.625240 Ba\n0.625240 0.124281 0.625240 Ba\n0.625240 0.625240 0.124281 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Pt"
],
"chemical_system": "Ba-Ge-Pt",
"density": 6.264977459576329,
"density_atomic": 0.027706559448957245,
"volume": 216.55521722405032,
"volume_molar": 21.735433340593463,
"formula_full": "Ba4 Ge1 Pt1",
"formula_reduced": "Ba4GePt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5244618716666665,
"spacegroup": 216
},
{
"id": "jvasp-66290",
"created_at": "2022-09-04T14:35:46.697312Z",
"updated_at": "2022-09-04T14:35:46.697334Z",
"structure_string": "Ba1 Na1 La1\n1.0\n-0.000000 3.964391 3.964391\n3.964391 0.000000 3.964391\n3.964391 3.964391 0.000000\nBa Na La\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"La"
],
"chemical_system": "Ba-La-Na",
"density": 3.9873423547132276,
"density_atomic": 0.02407475158043446,
"volume": 124.61187771665726,
"volume_molar": 25.01434226592058,
"formula_full": "Ba1 Na1 La1",
"formula_reduced": "BaNaLa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5245133233333332,
"spacegroup": 216
},
{
"id": "jvasp-69146",
"created_at": "2022-09-04T14:35:43.463523Z",
"updated_at": "2022-09-04T14:35:43.463540Z",
"structure_string": "Ba1 Ga1 Sb2\n1.0\n4.314348 -0.000000 0.000000\n-0.000000 4.314348 0.000000\n-0.000000 0.000000 6.802727\nBa Ga Sb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.706570 Sb\n0.000000 0.000000 0.293430 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Sb"
],
"chemical_system": "Ba-Ga-Sb",
"density": 5.90878218806435,
"density_atomic": 0.03158978011762986,
"volume": 126.62323020626694,
"volume_molar": 19.063572894700584,
"formula_full": "Ba1 Ga1 Sb2",
"formula_reduced": "BaGaSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5245476237500002,
"spacegroup": 123
},
{
"id": "jvasp-102134",
"created_at": "2022-09-04T14:36:42.765525Z",
"updated_at": "2022-09-04T14:36:42.765550Z",
"structure_string": "Tm2 Zn1 Pd1\n1.0\n4.251423 -0.000000 2.454560\n1.417141 4.008280 2.454560\n0.000000 -0.000000 4.909120\nTm Zn Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749999 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Zn",
"Pd"
],
"chemical_system": "Pd-Tm-Zn",
"density": 10.117320664966982,
"density_atomic": 0.04781497946726382,
"volume": 83.65579248525185,
"volume_molar": 12.594673943388422,
"formula_full": "Tm2 Zn1 Pd1",
"formula_reduced": "Tm2ZnPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.52455615,
"spacegroup": 225
},
{
"id": "jvasp-74970",
"created_at": "2022-09-04T14:36:17.425262Z",
"updated_at": "2022-09-04T14:36:17.425287Z",
"structure_string": "K2 Be1 Pd1\n1.0\n-2.574414 2.574414 3.640925\n2.574414 -2.574414 3.640925\n2.574414 2.574414 -3.640925\nK Be Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.499999 0.499999 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Pd"
],
"chemical_system": "Be-K-Pd",
"density": 3.3311217780457003,
"density_atomic": 0.041441120552057516,
"volume": 96.52248652338633,
"volume_molar": 14.53180000872589,
"formula_full": "K2 Be1 Pd1",
"formula_reduced": "K2BePd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.52462195,
"spacegroup": 216
},
{
"id": "jvasp-10271",
"created_at": "2022-09-04T14:38:08.938269Z",
"updated_at": "2022-09-04T14:38:08.938280Z",
"structure_string": "K6 Sb2 Se8\n1.0\n7.981181 -0.045513 -0.173419\n-0.176236 7.979365 -0.173419\n-0.044773 -0.045513 7.982940\nK Sb Se\n6 2 8\ndirect\n0.465206 0.520097 -0.000043 K\n-0.000043 0.465206 0.520097 K\n0.520097 -0.000042 0.465206 K\n0.020096 0.965207 0.499957 K\n0.499958 0.020097 0.965206 K\n0.965206 0.499958 0.020096 K\n0.001030 0.001030 0.001030 Sb\n0.501030 0.501030 0.501030 Sb\n0.200261 0.821400 0.167542 Se\n0.313007 0.313008 0.313007 Se\n0.321400 0.700262 0.667542 Se\n0.167543 0.200262 0.821400 Se\n0.821400 0.167543 0.200261 Se\n0.700261 0.667543 0.321400 Se\n0.667542 0.321400 0.700261 Se\n0.813007 0.813008 0.813007 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sb",
"Se"
],
"chemical_system": "K-Sb-Se",
"density": 3.626222330607478,
"density_atomic": 0.03148361437024576,
"volume": 508.2008632122343,
"volume_molar": 19.12785707885988,
"formula_full": "K6 Sb2 Se8",
"formula_reduced": "K3SbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5246741958333334,
"spacegroup": 161
},
{
"id": "jvasp-90576",
"created_at": "2022-09-04T14:35:53.707206Z",
"updated_at": "2022-09-04T14:35:53.707237Z",
"structure_string": "Mg4 Zn4\n1.0\n10.243286 0.000000 0.759635\n0.000000 3.075100 0.000000\n-1.941929 0.000000 4.463667\nMg Zn\n4 4\ndirect\n0.608973 0.500000 0.820704 Mg\n0.891027 0.000000 0.179295 Mg\n0.108973 0.000000 0.820704 Mg\n0.391027 0.500000 0.179296 Mg\n0.856400 0.500000 0.663085 Zn\n0.643600 0.000000 0.336914 Zn\n0.356400 0.000000 0.663086 Zn\n0.143600 0.500000 0.336914 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.105712559904451,
"density_atomic": 0.055120001258196105,
"volume": 145.13787767394933,
"volume_molar": 10.925509112002304,
"formula_full": "Mg4 Zn4",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5247708823529411,
"spacegroup": 12
}
]
}