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=1270",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=1268",
"results": [
{
"id": "jvasp-17817",
"created_at": "2022-09-04T14:37:28.597208Z",
"updated_at": "2022-09-04T14:37:28.597230Z",
"structure_string": "Li1 Si3 Pd1\n1.0\n3.226915 -0.000000 -1.181126\n-0.432320 3.197824 -1.181126\n0.779840 0.892363 7.129209\nLi Si Pd\n1 3 1\ndirect\n0.603763 0.603762 0.207524 Li\n0.760782 0.260780 0.521561 Si\n0.260781 0.760780 0.521561 Si\n0.413150 0.413149 0.826299 Si\n0.982528 0.982524 0.965051 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Si",
"Pd"
],
"chemical_system": "Li-Pd-Si",
"density": 4.0830435759573,
"density_atomic": 0.062212767472834954,
"volume": 80.3693550874945,
"volume_molar": 9.679911382546278,
"formula_full": "Li1 Si3 Pd1",
"formula_reduced": "LiSi3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5289063,
"spacegroup": 107
},
{
"id": "jvasp-5041",
"created_at": "2022-09-04T14:37:06.602649Z",
"updated_at": "2022-09-04T14:37:06.602676Z",
"structure_string": "Li1 Si3 Pd1\n1.0\n3.226915 -0.000000 -1.181126\n-0.432320 3.197824 -1.181126\n0.779840 0.892363 7.129209\nLi Si Pd\n1 3 1\ndirect\n0.603763 0.603762 0.207524 Li\n0.760782 0.260780 0.521561 Si\n0.260781 0.760780 0.521561 Si\n0.413150 0.413149 0.826299 Si\n0.982528 0.982524 0.965051 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Si",
"Pd"
],
"chemical_system": "Li-Pd-Si",
"density": 4.0830435759573,
"density_atomic": 0.062212767472834954,
"volume": 80.3693550874945,
"volume_molar": 9.679911382546278,
"formula_full": "Li1 Si3 Pd1",
"formula_reduced": "LiSi3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5289063,
"spacegroup": 107
},
{
"id": "jvasp-13764",
"created_at": "2022-09-04T14:35:54.307575Z",
"updated_at": "2022-09-04T14:35:54.307597Z",
"structure_string": "Li1 Si3 Pd1\n1.0\n3.226920 -0.000000 -1.181128\n-0.432321 3.197829 -1.181128\n0.779890 0.892419 7.129352\nLi Si Pd\n1 3 1\ndirect\n0.603763 0.603763 0.207525 Li\n0.760783 0.260783 0.521566 Si\n0.260784 0.760784 0.521566 Si\n0.413150 0.413151 0.826300 Si\n0.982521 0.982522 0.965041 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Si",
"Pd"
],
"chemical_system": "Li-Pd-Si",
"density": 4.082933945618958,
"density_atomic": 0.06221109705060695,
"volume": 80.37151307479184,
"volume_molar": 9.680171296611535,
"formula_full": "Li1 Si3 Pd1",
"formula_reduced": "LiSi3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5289063,
"spacegroup": 107
},
{
"id": "jvasp-25169",
"created_at": "2022-09-04T14:37:52.487033Z",
"updated_at": "2022-09-04T14:37:52.487054Z",
"structure_string": "H2\n1.0\n3.846412 -0.000000 0.000000\n-1.923206 3.331090 0.000000\n0.000000 -0.000000 6.272793\nH\n2\ndirect\n0.333332 0.666667 0.250000 H\n0.666666 0.333333 0.750000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.04164958225618996,
"density_atomic": 0.024884382704193922,
"volume": 80.37169431825718,
"volume_molar": 24.200482815211853,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 2.5056000000000003,
"spacegroup": 194
},
{
"id": "jvasp-80200",
"created_at": "2022-09-04T14:37:17.668669Z",
"updated_at": "2022-09-04T14:37:17.668693Z",
"structure_string": "Zr2 Zn1 Cd1\n1.0\n-11.564465 2.619223 -2.399575\n-8.026151 0.668089 0.856090\n-6.756268 4.259864 -1.343413\nZr Zn Cd\n2 1 1\ndirect\n0.750054 -0.000036 -0.000036 Zr\n0.249948 0.000034 0.000034 Zr\n0.000000 0.000000 0.000000 Zn\n0.500001 -0.000001 -0.000001 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Cd"
],
"chemical_system": "Cd-Zn-Zr",
"density": 7.443297347330613,
"density_atomic": 0.0497680441889371,
"volume": 80.37285903409395,
"volume_molar": 12.100416759673786,
"formula_full": "Zr2 Zn1 Cd1",
"formula_reduced": "Zr2ZnCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2422147875,
"spacegroup": 139
},
{
"id": "jvasp-122",
"created_at": "2022-09-04T14:37:33.940382Z",
"updated_at": "2022-09-04T14:37:33.940398Z",
"structure_string": "Sn1 Se2\n1.0\n1.943608 -3.366429 -0.000000\n1.943608 3.366429 0.000000\n0.000000 0.000000 6.141915\nSn Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.260183 Se\n0.333333 0.666667 0.739817 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"Se"
],
"chemical_system": "Se-Sn",
"density": 5.715265884875712,
"density_atomic": 0.0373258167784857,
"volume": 80.3733249242432,
"volume_molar": 16.133982534766965,
"formula_full": "Sn1 Se2",
"formula_reduced": "SnSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8348061444444446,
"spacegroup": 164
},
{
"id": "jvasp-51351",
"created_at": "2022-09-04T14:36:52.894035Z",
"updated_at": "2022-09-04T14:36:52.894067Z",
"structure_string": "Al4 C3\n1.0\n-3.187027 -0.009497 0.000971\n1.182665 4.925845 -0.024266\n-0.331773 -2.251916 -5.112723\nAl C\n4 3\ndirect\n0.041355 0.166595 0.751066 Al\n0.638792 0.211628 0.206909 Al\n0.258509 0.661903 0.692217 Al\n0.941285 0.749544 0.228082 Al\n0.076334 0.984394 0.003698 C\n0.624052 0.346853 0.615262 C\n0.491247 0.947020 0.481974 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.9740042292378575,
"density_atomic": 0.08708712479946874,
"volume": 80.37927553721124,
"volume_molar": 6.915075878170153,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.077694457142857,
"spacegroup": 1
},
{
"id": "jvasp-80504",
"created_at": "2022-09-04T14:37:03.598345Z",
"updated_at": "2022-09-04T14:37:03.598369Z",
"structure_string": "Mg3 Zn1\n1.0\n4.315775 0.000000 0.000000\n0.000000 4.315775 0.000000\n-0.000000 0.000000 4.315775\nMg Zn\n3 1\ndirect\n0.499999 0.499999 0.000000 Mg\n0.499999 0.000000 0.499999 Mg\n0.000000 0.499999 0.499999 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8573948116087755,
"density_atomic": 0.049760370632278755,
"volume": 80.38525334868113,
"volume_molar": 12.102282767350479,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.151212794117647,
"spacegroup": 221
},
{
"id": "jvasp-113698",
"created_at": "2022-09-04T14:38:45.727552Z",
"updated_at": "2022-09-04T14:38:45.727569Z",
"structure_string": "Y1 Mn1 O4\n1.0\n-1.926528 1.926528 5.414687\n1.926528 -1.926528 5.414687\n1.926528 1.926528 -5.414687\nY Mn O\n1 1 4\ndirect\n0.750001 0.250000 0.500001 Y\n0.000000 0.000000 0.000000 Mn\n0.979478 0.479477 0.500001 O\n0.831295 0.831295 0.000000 O\n0.520524 0.020523 0.500001 O\n0.168706 0.168706 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 4.293360496361991,
"density_atomic": 0.07463924733061718,
"volume": 80.38666270873269,
"volume_molar": 8.068329967643853,
"formula_full": "Y1 Mn1 O4",
"formula_reduced": "YMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.725484448563219,
"spacegroup": 119
},
{
"id": "jvasp-114900",
"created_at": "2022-09-04T14:38:43.628674Z",
"updated_at": "2022-09-04T14:38:43.628688Z",
"structure_string": "In1 Cu1 S2\n1.0\n1.939656 1.119861 6.168201\n-1.939656 1.119861 6.168201\n0.000000 -2.239722 6.168201\nIn Cu S\n1 1 2\ndirect\n0.995737 0.995737 0.995737 In\n0.136580 0.136580 0.136580 Cu\n0.260418 0.260418 0.260418 S\n0.760261 0.760261 0.760261 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"S"
],
"chemical_system": "Cu-In-S",
"density": 5.00900531586498,
"density_atomic": 0.04975782508458192,
"volume": 80.38936575705455,
"volume_molar": 12.102901904902662,
"formula_full": "In1 Cu1 S2",
"formula_reduced": "InCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.601745105,
"spacegroup": 160
},
{
"id": "jvasp-71747",
"created_at": "2022-09-04T14:36:13.098203Z",
"updated_at": "2022-09-04T14:36:13.098225Z",
"structure_string": "Be1 Co1 Br2\n1.0\n-1.747979 1.747979 6.577616\n1.747979 -1.747979 6.577616\n1.747979 1.747979 -6.577616\nBe Co Br\n1 1 2\ndirect\n0.750001 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Br\n0.250000 0.750001 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Br"
],
"chemical_system": "Be-Br-Co",
"density": 4.704494811674317,
"density_atomic": 0.04975755853733499,
"volume": 80.38979639643388,
"volume_molar": 12.10296673917664,
"formula_full": "Be1 Co1 Br2",
"formula_reduced": "BeCoBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3595338025,
"spacegroup": 119
},
{
"id": "jvasp-67773",
"created_at": "2022-09-04T14:36:03.696677Z",
"updated_at": "2022-09-04T14:36:03.696698Z",
"structure_string": "Ca1 Be1 Br1\n1.0\n-1.795226 1.795226 6.236544\n1.795226 -1.795226 6.236544\n1.795226 1.795226 -6.236544\nCa Be Br\n1 1 1\ndirect\n0.330268 0.330268 0.000000 Ca\n0.968439 0.968439 0.000000 Be\n0.701293 0.701293 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ca",
"density": 2.6642622995005434,
"density_atomic": 0.03731461918499133,
"volume": 80.39744383098673,
"volume_molar": 16.13882411647986,
"formula_full": "Ca1 Be1 Br1",
"formula_reduced": "CaBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2963468749999999,
"spacegroup": 107
}
]
}