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_molar&page=1001",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=999",
"results": [
{
"id": "jvasp-7721",
"created_at": "2022-09-04T14:36:34.473583Z",
"updated_at": "2022-09-04T14:36:34.473610Z",
"structure_string": "V3 Te6\n1.0\n3.616350 0.000000 0.000000\n-1.808175 6.822043 -2.494919\n0.000000 -0.061163 9.234867\nV Te\n3 6\ndirect\n0.000000 0.000000 0.000000 V\n0.358455 0.716909 0.704707 V\n0.641546 0.283091 0.295294 V\n0.355650 0.711297 0.982265 Te\n0.644352 0.288703 0.017735 Te\n0.706126 0.412250 0.620546 Te\n0.293875 0.587750 0.379454 Te\n0.010234 0.020467 0.304641 Te\n0.989768 0.979533 0.695359 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"V",
"Te"
],
"chemical_system": "Te-V",
"density": 6.7101187272247955,
"density_atomic": 0.03959862956079887,
"volume": 227.28059278368704,
"volume_molar": 15.207952463995596,
"formula_full": "V3 Te6",
"formula_reduced": "VTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7241065777777782,
"spacegroup": 12
},
{
"id": "jvasp-74598",
"created_at": "2022-09-04T14:36:13.838084Z",
"updated_at": "2022-09-04T14:36:13.838109Z",
"structure_string": "Ca2 Be1 Tl1\n1.0\n-2.613221 2.613221 3.697794\n2.613221 -2.613221 3.697794\n2.613221 2.613221 -3.697794\nCa Be Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.000000 Ca\n0.749999 0.250000 0.500000 Be\n0.250000 0.749999 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tl"
],
"chemical_system": "Be-Ca-Tl",
"density": 4.825900805035933,
"density_atomic": 0.03960089556184493,
"volume": 101.0078166983163,
"volume_molar": 15.20708225043848,
"formula_full": "Ca2 Be1 Tl1",
"formula_reduced": "Ca2BeTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.066787385,
"spacegroup": 225
},
{
"id": "jvasp-5545",
"created_at": "2022-09-04T14:38:39.967863Z",
"updated_at": "2022-09-04T14:38:39.967882Z",
"structure_string": "W2 S16 Cl12\n1.0\n7.934060 0.000255 -0.060608\n-0.015015 7.954894 -0.060661\n-2.326220 -1.484950 12.031917\nW S Cl\n2 16 12\ndirect\n0.712505 0.224145 0.894401 W\n0.287496 0.775854 0.105599 W\n0.379436 0.508368 0.598211 S\n0.620565 0.491631 0.401789 S\n0.762053 0.598650 0.302520 S\n0.019944 0.590118 0.374620 S\n0.980057 0.409881 0.625380 S\n0.122714 0.383397 0.294426 S\n0.877287 0.616602 0.705574 S\n0.237948 0.401349 0.697480 S\n0.870318 0.815571 0.610986 S\n0.917759 0.025733 0.324006 S\n0.082242 0.974266 0.675994 S\n0.728503 0.085215 0.415942 S\n0.271498 0.914784 0.584058 S\n0.555291 0.242932 0.333627 S\n0.444709 0.757067 0.666373 S\n0.129683 0.184428 0.389014 S\n0.007383 0.687582 0.100190 Cl\n0.992618 0.312416 0.899810 Cl\n0.372503 0.497423 0.105176 Cl\n0.627498 0.502576 0.894824 Cl\n0.567467 0.864190 0.110692 Cl\n0.240113 0.742600 0.914236 Cl\n0.342259 0.811797 0.298388 Cl\n0.657742 0.188202 0.701612 Cl\n0.759888 0.257399 0.085764 Cl\n0.801425 0.947116 0.893780 Cl\n0.432534 0.135809 0.889309 Cl\n0.198576 0.052883 0.106220 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 2.863067455124102,
"density_atomic": 0.03960123115330187,
"volume": 757.5522054823455,
"volume_molar": 15.20695338154376,
"formula_full": "W2 S16 Cl12",
"formula_reduced": "W(S4Cl3)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.9296389603333337,
"spacegroup": 2
},
{
"id": "jvasp-18719",
"created_at": "2022-09-04T14:36:50.136433Z",
"updated_at": "2022-09-04T14:36:50.136452Z",
"structure_string": "Th2 Hg6\n1.0\n3.399104 -5.887421 -0.000000\n3.399104 5.887421 -0.000000\n0.000000 -0.000000 5.047316\nTh Hg\n2 6\ndirect\n0.333332 0.666666 0.250000 Th\n0.666666 0.333332 0.750001 Th\n0.326543 0.163271 0.250000 Hg\n0.163271 0.326543 0.750001 Hg\n0.163271 0.836728 0.750001 Hg\n0.836728 0.163271 0.250000 Hg\n0.836727 0.673456 0.250000 Hg\n0.673456 0.836727 0.750001 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Hg"
],
"chemical_system": "Hg-Th",
"density": 13.707717497725318,
"density_atomic": 0.03960134628496841,
"volume": 202.0133341536568,
"volume_molar": 15.20690917087796,
"formula_full": "Th2 Hg6",
"formula_reduced": "ThHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-14107",
"created_at": "2022-09-04T14:35:52.954981Z",
"updated_at": "2022-09-04T14:35:52.955002Z",
"structure_string": "Cu1 Br2\n1.0\n3.370698 -0.000000 0.955429\n1.700430 3.638886 0.424511\n0.064036 -0.212612 6.197609\nCu Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.253476 0.243389 0.249659 Br\n0.746525 0.756613 0.750341 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Br"
],
"chemical_system": "Br-Cu",
"density": 4.8959869177661215,
"density_atomic": 0.039602141517181624,
"volume": 75.75347910663953,
"volume_molar": 15.206603807996743,
"formula_full": "Cu1 Br2",
"formula_reduced": "CuBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-91660",
"created_at": "2022-09-04T14:36:08.478221Z",
"updated_at": "2022-09-04T14:36:08.478250Z",
"structure_string": "La2 Cu2 Sb4\n1.0\n4.418593 -0.000000 -0.000000\n0.000000 4.418593 0.000000\n-0.000000 -0.000000 10.346680\nLa Cu Sb\n2 2 4\ndirect\n0.749999 0.749999 0.748559 La\n0.250000 0.250000 0.251441 La\n0.250000 0.749999 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.250000 0.749999 0.000000 Sb\n0.749999 0.250000 0.000000 Sb\n0.749999 0.749999 0.350831 Sb\n0.250000 0.250000 0.649169 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Cu",
"Sb"
],
"chemical_system": "Cu-La-Sb",
"density": 7.33191044724885,
"density_atomic": 0.03960235103676541,
"volume": 202.00820887055633,
"volume_molar": 15.206523356174635,
"formula_full": "La2 Cu2 Sb4",
"formula_reduced": "LaCuSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9828869125,
"spacegroup": 129
},
{
"id": "jvasp-100704",
"created_at": "2022-09-04T14:36:40.453503Z",
"updated_at": "2022-09-04T14:36:40.453524Z",
"structure_string": "Ac1 Cd1 Au2\n1.0\n4.526871 -0.000000 2.613590\n1.508957 4.267975 2.613590\n-0.000000 -0.000000 5.227180\nAc Cd Au\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ac\n0.000000 0.000000 0.000000 Cd\n0.750001 0.749999 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cd",
"Au"
],
"chemical_system": "Ac-Au-Cd",
"density": 12.057839011780096,
"density_atomic": 0.03960705488884832,
"volume": 100.99210888629419,
"volume_molar": 15.204717384062763,
"formula_full": "Ac1 Cd1 Au2",
"formula_reduced": "AcCdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112679",
"created_at": "2022-09-04T14:38:42.681082Z",
"updated_at": "2022-09-04T14:38:42.681110Z",
"structure_string": "In3 Cu3 Si1 Se8\n1.0\n5.829578 -0.000000 0.000000\n0.000000 5.829578 0.000000\n-0.000000 -0.000000 11.142995\nIn Cu Si Se\n3 3 1 8\ndirect\n0.500000 0.000000 0.264493 In\n-0.000000 0.500000 0.735507 In\n0.500000 0.500000 -0.000000 In\n-0.000000 0.500000 0.268445 Cu\n0.500000 0.000000 0.731556 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Si\n0.766193 0.262257 0.400268 Se\n0.252944 0.780876 0.866935 Se\n0.233808 0.737744 0.400268 Se\n0.747057 0.219124 0.866935 Se\n0.219124 0.252944 0.133066 Se\n0.737744 0.766193 0.599732 Se\n0.780876 0.747057 0.133066 Se\n0.262257 0.233808 0.599732 Se\n",
"nsites": 15,
"nelements": 4,
"elements": [
"In",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-In-Se-Si",
"density": 5.239490299753841,
"density_atomic": 0.039610934492200434,
"volume": 378.6833154101317,
"volume_molar": 15.203228192421934,
"formula_full": "In3 Cu3 Si1 Se8",
"formula_reduced": "In3Cu3SiSe8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 0.925416452888889,
"spacegroup": 81
},
{
"id": "jvasp-102186",
"created_at": "2022-09-04T14:36:43.337910Z",
"updated_at": "2022-09-04T14:36:43.337926Z",
"structure_string": "Pr1 Mn1 In1\n1.0\n4.798188 -0.000000 0.000000\n-2.399094 4.155353 -0.000000\n-0.000000 0.000000 3.798448\nPr Mn In\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Pr\n0.666667 0.333333 0.500000 Mn\n0.000000 0.000000 0.500000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"In"
],
"chemical_system": "In-Mn-Pr",
"density": 6.811585807650833,
"density_atomic": 0.03961228415827671,
"volume": 75.73408258945783,
"volume_molar": 15.202710189439344,
"formula_full": "Pr1 Mn1 In1",
"formula_reduced": "PrMnIn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.598892353793103,
"spacegroup": 187
},
{
"id": "jvasp-37242",
"created_at": "2022-09-04T14:37:56.835576Z",
"updated_at": "2022-09-04T14:37:56.835601Z",
"structure_string": "Sm1 Mg2 Sc1\n1.0\n-0.000000 3.695983 3.695983\n3.695983 0.000000 3.695983\n3.695983 3.695983 0.000000\nSm Mg Sc\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Mg\n0.250000 0.250000 0.250000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc-Sm",
"density": 4.0113184798497885,
"density_atomic": 0.039613215880390254,
"volume": 100.97640171597685,
"volume_molar": 15.202352614297954,
"formula_full": "Sm1 Mg2 Sc1",
"formula_reduced": "SmMg2Sc",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.59300305625,
"spacegroup": 225
},
{
"id": "jvasp-54971",
"created_at": "2022-09-04T14:38:32.454700Z",
"updated_at": "2022-09-04T14:38:32.454722Z",
"structure_string": "Ag2 Hg7 P8 Br6\n1.0\n8.143216 0.007057 1.193149\n1.062277 8.357875 1.366722\n0.019183 0.004692 8.535223\nAg Hg P Br\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.236957 0.733313 0.369286 Hg\n0.129820 0.272267 0.272267 Hg\n0.236957 0.369287 0.733312 Hg\n0.763043 0.266688 0.630713 Hg\n0.000000 0.000000 0.000000 Hg\n0.870181 0.727734 0.727733 Hg\n0.763044 0.630714 0.266687 Hg\n0.931584 0.436738 0.436737 P\n0.425899 0.925101 0.238594 P\n0.574102 0.074900 0.761405 P\n0.255247 0.085853 0.085853 P\n0.068416 0.563263 0.563262 P\n0.744754 0.914148 0.914147 P\n0.574102 0.761406 0.074899 P\n0.425899 0.238595 0.925100 P\n0.849815 0.954504 0.364339 Br\n0.150186 0.635661 0.045497 Br\n0.460310 0.354778 0.354777 Br\n0.539690 0.645223 0.645222 Br\n0.150185 0.045497 0.635660 Br\n0.849815 0.364340 0.954503 Br\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"Br"
],
"chemical_system": "Ag-Br-Hg-P",
"density": 6.712676981972326,
"density_atomic": 0.039613799873007956,
"volume": 580.6057503630632,
"volume_molar": 15.202128498920814,
"formula_full": "Ag2 Hg7 P8 Br6",
"formula_reduced": "Ag2Hg7(P4Br3)2",
"formula_anonymous": "A2B6C7D8",
"energy_above_hull": 0.5999650152173912,
"spacegroup": 12
},
{
"id": "jvasp-108812",
"created_at": "2022-09-04T14:38:27.580442Z",
"updated_at": "2022-09-04T14:38:27.580454Z",
"structure_string": "Ag2 Te1\n1.0\n4.175332 -0.047292 -2.102868\n-1.604262 3.855124 -2.102868\n0.031931 0.047292 4.674873\nAg Te\n2 1\ndirect\n0.749999 0.250000 0.499999 Ag\n0.250000 0.749999 0.499999 Ag\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ag",
"Te"
],
"chemical_system": "Ag-Te",
"density": 7.528284829142128,
"density_atomic": 0.039613968345448135,
"volume": 75.73086275626099,
"volume_molar": 15.202063846481508,
"formula_full": "Ag2 Te1",
"formula_reduced": "Ag2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1168074288888889,
"spacegroup": 139
}
]
}