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=478",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=476",
"results": [
{
"id": "jvasp-92606",
"created_at": "2022-09-04T14:36:07.405484Z",
"updated_at": "2022-09-04T14:36:07.405511Z",
"structure_string": "Y1 Si2 Ru2\n1.0\n4.193653 0.000000 0.000000\n0.000000 4.193653 0.000000\n-2.096826 -2.096826 4.787527\nY Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.631569 0.631569 0.263140 Si\n0.368429 0.368429 0.736860 Si\n0.250000 0.749999 0.500000 Ru\n0.749999 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Y",
"density": 6.847841023054494,
"density_atomic": 0.059384592880771435,
"volume": 84.19692309819617,
"volume_molar": 10.140914449124653,
"formula_full": "Y1 Si2 Ru2",
"formula_reduced": "Y(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.69939273,
"spacegroup": 139
},
{
"id": "jvasp-9603",
"created_at": "2022-09-04T14:37:58.149874Z",
"updated_at": "2022-09-04T14:37:58.149907Z",
"structure_string": "Si4 N4 O2\n1.0\n4.893879 -0.000000 0.000000\n0.000000 4.712626 -2.349608\n0.000000 -0.013274 5.265865\nSi N O\n4 4 2\ndirect\n0.728762 0.024405 0.671499 Si\n0.228762 0.975597 0.328500 Si\n0.228762 0.328502 0.975595 Si\n0.728762 0.671500 0.024404 Si\n0.383528 0.092728 0.658982 N\n0.883528 0.907274 0.341017 N\n0.883528 0.341018 0.907272 N\n0.383528 0.658983 0.092727 N\n0.782700 0.783899 0.783897 O\n0.282699 0.216103 0.216102 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Si",
"N",
"O"
],
"chemical_system": "N-O-Si",
"density": 2.7430696369109797,
"density_atomic": 0.08244422488300841,
"volume": 121.29412356281343,
"volume_molar": 7.304502854560951,
"formula_full": "Si4 N4 O2",
"formula_reduced": "Si2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.69878744,
"spacegroup": 36
},
{
"id": "jvasp-28760",
"created_at": "2022-09-04T14:38:12.797590Z",
"updated_at": "2022-09-04T14:38:12.797601Z",
"structure_string": "Te2 Mo2 W2 S6\n1.0\n3.280338 -0.000000 -0.000000\n-1.640170 2.840941 0.000167\n-0.000000 0.002182 39.405945\nTe Mo W S\n2 2 2 6\ndirect\n0.666751 0.333501 0.419839 Te\n0.666484 0.332966 0.518439 Te\n0.333211 0.666420 0.093523 Mo\n0.666759 0.333517 0.280500 Mo\n0.333275 0.666550 0.469123 W\n0.666768 0.333536 0.659827 W\n0.333352 0.666706 0.319507 S\n0.333338 0.666679 0.698880 S\n0.666547 0.333093 0.054556 S\n0.666531 0.333062 0.132505 S\n0.333503 0.667007 0.241471 S\n0.333480 0.666961 0.620578 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.554080463839025,
"density_atomic": 0.032676737639972954,
"volume": 367.2337224178886,
"volume_molar": 18.429443068494106,
"formula_full": "Te2 Mo2 W2 S6",
"formula_reduced": "TeMoWS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.698693944444444,
"spacegroup": 156
},
{
"id": "jvasp-75650",
"created_at": "2022-09-04T14:36:14.188506Z",
"updated_at": "2022-09-04T14:36:14.188527Z",
"structure_string": "As1 Ir2 Rh1\n1.0\n0.000000 3.123354 3.123354\n3.123354 0.000000 3.123354\n3.123354 3.123354 -0.000000\nAs Ir Rh\n1 2 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"Ir",
"Rh"
],
"chemical_system": "As-Ir-Rh",
"density": 15.321225697741308,
"density_atomic": 0.06563966655307488,
"volume": 60.938761728255926,
"volume_molar": 9.174545021691452,
"formula_full": "As1 Ir2 Rh1",
"formula_reduced": "AsIr2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6986867375,
"spacegroup": 216
},
{
"id": "jvasp-117874",
"created_at": "2022-09-04T14:38:29.174389Z",
"updated_at": "2022-09-04T14:38:29.174414Z",
"structure_string": "C1 N1 Cl1\n1.0\n3.729961 -0.000000 -0.000000\n-0.000000 3.729961 -0.000000\n0.000000 -0.000000 7.835852\nC N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.156456 C\n0.000000 0.000000 0.005209 N\n0.000000 0.000000 0.797964 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 0.9363114410488281,
"density_atomic": 0.027518607143322948,
"volume": 109.01714553993745,
"volume_molar": 21.883886523163653,
"formula_full": "C1 N1 Cl1",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.698362439166666,
"spacegroup": 99
},
{
"id": "jvasp-66728",
"created_at": "2022-09-04T14:35:56.148985Z",
"updated_at": "2022-09-04T14:35:56.149013Z",
"structure_string": "Ta1 Be2 V1\n1.0\n2.644434 0.000000 -0.000000\n0.000000 2.644434 0.000000\n0.000000 0.000000 7.015402\nTa Be V\n1 2 1\ndirect\n0.000000 0.000000 0.464762 Ta\n0.000000 0.000000 0.038275 Be\n0.499999 0.499999 0.197754 Be\n0.499999 0.499999 0.799207 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"V"
],
"chemical_system": "Be-Ta-V",
"density": 8.459042585933787,
"density_atomic": 0.08153460365898399,
"volume": 49.05892492873184,
"volume_molar": 7.385993786377403,
"formula_full": "Ta1 Be2 V1",
"formula_reduced": "TaBe2V",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6980039,
"spacegroup": 99
},
{
"id": "jvasp-101761",
"created_at": "2022-09-04T14:36:40.021950Z",
"updated_at": "2022-09-04T14:36:40.021976Z",
"structure_string": "Fe4 Se3 N2\n1.0\n4.875413 -0.023642 4.264936\n1.125014 3.091598 -0.000000\n0.078723 -0.028647 8.718593\nFe Se N\n4 3 2\ndirect\n0.390793 0.804603 0.635425 Fe\n0.609205 0.195397 0.364577 Fe\n0.552072 0.723964 0.151719 Fe\n0.447926 0.276036 0.848282 Fe\n0.000000 0.000000 0.000000 Se\n0.770124 0.614937 0.785820 Se\n0.229874 0.385063 0.214181 Se\n0.434543 0.782728 0.406863 N\n0.565455 0.217272 0.593138 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"Se",
"N"
],
"chemical_system": "Fe-N-Se",
"density": 6.214423345062426,
"density_atomic": 0.0689812693569137,
"volume": 130.4701998658998,
"volume_molar": 8.730110095308685,
"formula_full": "Fe4 Se3 N2",
"formula_reduced": "Fe4Se3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.697758733333333,
"spacegroup": 12
},
{
"id": "jvasp-111918",
"created_at": "2022-09-04T14:38:39.376109Z",
"updated_at": "2022-09-04T14:38:39.376126Z",
"structure_string": "Mn5 O8\n1.0\n5.034444 0.041249 3.220546\n1.783730 4.708041 3.220546\n0.059217 0.041249 5.976123\nMn O\n5 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000001 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.732848 0.732848 0.732848 O\n0.241509 0.241509 0.726572 O\n0.241508 0.726573 0.241509 O\n0.726572 0.241509 0.241509 O\n0.273428 0.758492 0.758492 O\n0.758491 0.273428 0.758492 O\n0.758491 0.758492 0.273428 O\n0.267152 0.267152 0.267152 O\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.780117016757382,
"density_atomic": 0.09293233991364827,
"volume": 139.88671771397836,
"volume_molar": 6.480134650215101,
"formula_full": "Mn5 O8",
"formula_reduced": "Mn5O8",
"formula_anonymous": "A5B8",
"energy_above_hull": 3.6973972466843503,
"spacegroup": 166
},
{
"id": "jvasp-16514",
"created_at": "2022-09-04T14:37:39.961914Z",
"updated_at": "2022-09-04T14:37:39.961939Z",
"structure_string": "Y1 Fe5\n1.0\n2.490715 -4.314045 0.000000\n2.490715 4.314045 0.000000\n0.000000 0.000000 3.918194\nY Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Y\n0.333334 0.666668 0.000000 Fe\n0.666668 0.333334 0.000000 Fe\n0.500001 0.500001 0.499999 Fe\n0.500001 0.000000 0.499999 Fe\n0.000000 0.500001 0.499999 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Fe"
],
"chemical_system": "Fe-Y",
"density": 7.259833708106247,
"density_atomic": 0.07125684875285596,
"volume": 84.20243253824106,
"volume_molar": 8.451315017994862,
"formula_full": "Y1 Fe5",
"formula_reduced": "YFe5",
"formula_anonymous": "AB5",
"energy_above_hull": 3.697357158333333,
"spacegroup": 191
},
{
"id": "jvasp-94425",
"created_at": "2022-09-04T14:36:05.342585Z",
"updated_at": "2022-09-04T14:36:05.342614Z",
"structure_string": "Y1 Fe5\n1.0\n0.000000 0.000000 -3.917320\n-2.490737 -4.314054 0.000000\n-2.490606 4.313978 0.000000\nY Fe\n1 5\ndirect\n0.000000 0.999981 0.000001 Y\n0.500000 0.499988 0.000001 Fe\n0.500000 0.499986 0.500002 Fe\n0.500000 0.999985 0.500000 Fe\n0.000000 0.333326 0.666694 Fe\n0.000000 0.666633 0.333308 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Fe"
],
"chemical_system": "Fe-Y",
"density": 7.261629100620541,
"density_atomic": 0.07127447092135003,
"volume": 84.1816140118512,
"volume_molar": 8.449225483055937,
"formula_full": "Y1 Fe5",
"formula_reduced": "YFe5",
"formula_anonymous": "AB5",
"energy_above_hull": 3.697285491666666,
"spacegroup": 191
},
{
"id": "jvasp-103144",
"created_at": "2022-09-04T14:37:03.947076Z",
"updated_at": "2022-09-04T14:37:03.947091Z",
"structure_string": "Co2 Pb1 N2\n1.0\n3.249580 0.000000 -0.000001\n-1.624798 2.814223 -0.000000\n0.000000 0.000000 7.160030\nCo Pb N\n2 1 2\ndirect\n0.666667 0.333333 0.112917 Co\n0.333332 0.666666 0.887083 Co\n-0.000000 -0.000000 0.500000 Pb\n0.666667 0.333333 0.843511 N\n0.333332 0.666666 0.156489 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Pb",
"N"
],
"chemical_system": "Co-N-Pb",
"density": 8.954088321162114,
"density_atomic": 0.07636061563612138,
"volume": 65.47878062987769,
"volume_molar": 7.886448674925698,
"formula_full": "Co2 Pb1 N2",
"formula_reduced": "Co2PbN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.696831824,
"spacegroup": 164
},
{
"id": "jvasp-103626",
"created_at": "2022-09-04T14:37:13.798500Z",
"updated_at": "2022-09-04T14:37:13.798529Z",
"structure_string": "Pu1 As3\n1.0\n4.249113 -0.000000 0.000000\n0.000000 4.249113 0.000000\n-0.000000 -0.000000 4.249113\nPu As\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n-0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 -0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"As"
],
"chemical_system": "As-Pu",
"density": 10.146336180366264,
"density_atomic": 0.05213929433060005,
"volume": 76.71757071810691,
"volume_molar": 11.550100240742355,
"formula_full": "Pu1 As3",
"formula_reduced": "PuAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6964413125,
"spacegroup": 221
}
]
}