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=elements&page=141",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=139",
"results": [
{
"id": "jvasp-114058",
"created_at": "2022-09-04T14:38:48.124247Z",
"updated_at": "2022-09-04T14:38:48.124285Z",
"structure_string": "Ba1 I1\n1.0\n5.922878 -0.000000 0.000000\n-2.961439 5.129362 -0.000000\n-0.000000 0.000000 4.429938\nBa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.000000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"I"
],
"chemical_system": "Ba-I",
"density": 3.260167045467196,
"density_atomic": 0.014860595413333306,
"volume": 134.58410947690217,
"volume_molar": 40.52422256645774,
"formula_full": "Ba1 I1",
"formula_reduced": "BaI",
"formula_anonymous": "AB",
"energy_above_hull": 0.1877299999999999,
"spacegroup": 187
},
{
"id": "jvasp-113482",
"created_at": "2022-09-04T14:38:45.945916Z",
"updated_at": "2022-09-04T14:38:45.945927Z",
"structure_string": "Ba2 I1\n1.0\n4.433921 0.182981 0.638989\n2.866364 -8.529098 -1.708247\n-1.761344 1.367994 -3.888489\nBa I\n2 1\ndirect\n0.303546 0.541094 0.507128 Ba\n0.830714 0.958305 0.978555 Ba\n0.067120 0.249698 0.742826 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"I"
],
"chemical_system": "Ba-I",
"density": 4.36075444094329,
"density_atomic": 0.01961936731572182,
"volume": 152.91012965519917,
"volume_molar": 30.694877480448657,
"formula_full": "Ba2 I1",
"formula_reduced": "Ba2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0521819899999999,
"spacegroup": 166
},
{
"id": "jvasp-92794",
"created_at": "2022-09-04T14:36:31.340295Z",
"updated_at": "2022-09-04T14:36:31.340316Z",
"structure_string": "Ba1 In4\n1.0\n4.735846 0.000000 -1.814349\n-0.695095 4.684557 -1.814349\n-0.024403 -0.028292 7.024273\nBa In\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250001 0.750001 0.500000 In\n0.617759 0.617758 0.235517 In\n0.382243 0.382243 0.764483 In\n0.750001 0.250000 0.500000 In\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"In"
],
"chemical_system": "Ba-In",
"density": 6.3770702915482484,
"density_atomic": 0.032185450315361956,
"volume": 155.34969841989516,
"volume_molar": 18.71075501816317,
"formula_full": "Ba1 In4",
"formula_reduced": "BaIn4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-118961",
"created_at": "2022-09-04T14:38:50.646652Z",
"updated_at": "2022-09-04T14:38:50.646681Z",
"structure_string": "Ba8 In4\n1.0\n5.902402 -0.000000 0.000000\n0.000000 8.049115 0.000000\n-0.000000 -0.000000 10.933828\nBa In\n8 4\ndirect\n0.250000 0.021347 0.694848 Ba\n0.250000 0.521347 0.805153 Ba\n0.750000 0.978652 0.305152 Ba\n0.750000 0.478653 0.194848 Ba\n0.250000 0.678009 0.425739 Ba\n0.250000 0.178009 0.074261 Ba\n0.750000 0.321991 0.574261 Ba\n0.750000 0.821991 0.925739 Ba\n0.250000 0.229657 0.396032 In\n0.250000 0.729656 0.103968 In\n0.750000 0.770343 0.603968 In\n0.750000 0.270343 0.896032 In\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"In"
],
"chemical_system": "Ba-In",
"density": 4.98007833869676,
"density_atomic": 0.02310106972657059,
"volume": 519.4564642258854,
"volume_molar": 26.068666218834885,
"formula_full": "Ba8 In4",
"formula_reduced": "Ba2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-18876",
"created_at": "2022-09-04T14:36:10.771862Z",
"updated_at": "2022-09-04T14:36:10.771890Z",
"structure_string": "Ba4 In4\n1.0\n5.693533 -0.000000 -0.000000\n0.000000 6.859835 -2.970874\n-0.000000 0.031765 7.475455\nBa In\n4 4\ndirect\n0.250000 0.326045 0.673955 Ba\n0.750000 0.673955 0.326045 Ba\n0.250000 0.872297 0.127704 Ba\n0.750000 0.127703 0.872295 Ba\n0.750000 0.212300 0.378312 In\n0.250000 0.787700 0.621688 In\n0.250000 0.378312 0.212300 In\n0.750000 0.621688 0.787700 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"In"
],
"chemical_system": "Ba-In",
"density": 5.725689869698405,
"density_atomic": 0.02735006472890259,
"volume": 292.5038781186459,
"volume_molar": 22.01874408595462,
"formula_full": "Ba4 In4",
"formula_reduced": "BaIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-107645",
"created_at": "2022-09-04T14:36:58.007580Z",
"updated_at": "2022-09-04T14:36:58.007602Z",
"structure_string": "Ba3 La1\n1.0\n5.885553 -0.000000 0.000000\n0.000000 5.885553 0.000000\n-0.000000 -0.000000 5.885553\nBa La\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"La"
],
"chemical_system": "Ba-La",
"density": 4.486930873378014,
"density_atomic": 0.01961996221051499,
"volume": 203.873991044502,
"volume_molar": 30.693946784324257,
"formula_full": "Ba3 La1",
"formula_reduced": "Ba3La",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3146382275,
"spacegroup": 221
},
{
"id": "jvasp-102456",
"created_at": "2022-09-04T14:36:46.764894Z",
"updated_at": "2022-09-04T14:36:46.764905Z",
"structure_string": "Ba1 La3\n1.0\n5.417503 -0.000000 0.000000\n0.000000 5.417503 0.000000\n-0.000000 -0.000000 5.417503\nBa La\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 -0.000000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"La"
],
"chemical_system": "Ba-La",
"density": 5.786226228485768,
"density_atomic": 0.02515721201642815,
"volume": 159.00013075327752,
"volume_molar": 23.938029206366053,
"formula_full": "Ba1 La3",
"formula_reduced": "BaLa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3695802425,
"spacegroup": 221
},
{
"id": "jvasp-101541",
"created_at": "2022-09-04T14:36:35.624453Z",
"updated_at": "2022-09-04T14:36:35.624477Z",
"structure_string": "Ba6 La2\n1.0\n8.412834 0.000000 0.000000\n-4.206417 7.285728 0.000000\n-0.000000 -0.000000 6.703412\nBa La\n6 2\ndirect\n0.171228 0.342457 0.250000 Ba\n0.657543 0.828772 0.250000 Ba\n0.171228 0.828772 0.250000 Ba\n0.828771 0.657544 0.750000 Ba\n0.342456 0.171228 0.750000 Ba\n0.828771 0.171228 0.750000 Ba\n0.333333 0.666667 0.750000 La\n0.666666 0.333333 0.250000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"La"
],
"chemical_system": "Ba-La",
"density": 4.452767442026881,
"density_atomic": 0.019470576081999452,
"volume": 410.8763893943539,
"volume_molar": 30.929443148667133,
"formula_full": "Ba6 La2",
"formula_reduced": "Ba3La",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3124632275,
"spacegroup": 194
},
{
"id": "jvasp-115187",
"created_at": "2022-09-04T14:38:45.171922Z",
"updated_at": "2022-09-04T14:38:45.171949Z",
"structure_string": "Ba1 Li1\n1.0\n3.612511 0.000000 -0.000000\n0.000000 3.612511 0.000000\n-0.000000 0.000000 7.091582\nBa Li\n1 1\ndirect\n0.000000 0.000000 0.249961 Ba\n0.000000 0.000000 0.750038 Li\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Li"
],
"chemical_system": "Ba-Li",
"density": 2.5885563484164265,
"density_atomic": 0.021610683867167257,
"volume": 92.54681676402504,
"volume_molar": 27.866497872144322,
"formula_full": "Ba1 Li1",
"formula_reduced": "BaLi",
"formula_anonymous": "AB",
"energy_above_hull": 0.346417985,
"spacegroup": 123
},
{
"id": "jvasp-99751",
"created_at": "2022-09-04T14:36:08.513428Z",
"updated_at": "2022-09-04T14:36:08.513455Z",
"structure_string": "Ba3 Li1\n1.0\n5.259262 0.022620 -5.390570\n-0.855278 5.189302 -5.390570\n-0.019113 -0.022620 7.531116\nBa Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Li"
],
"chemical_system": "Ba-Li",
"density": 3.4032047418374125,
"density_atomic": 0.019568872484640912,
"volume": 204.40625810912172,
"volume_molar": 30.774081463950562,
"formula_full": "Ba3 Li1",
"formula_reduced": "Ba3Li",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0203844775,
"spacegroup": 139
},
{
"id": "jvasp-98010",
"created_at": "2022-09-04T14:36:10.325165Z",
"updated_at": "2022-09-04T14:36:10.325183Z",
"structure_string": "Ba6 Li24\n1.0\n10.708719 0.000000 0.000000\n-5.354360 9.274023 0.000000\n0.000000 0.000000 8.756359\nBa Li\n6 24\ndirect\n0.471431 0.942863 0.250000 Ba\n0.942863 0.471431 0.750000 Ba\n0.057137 0.528568 0.250000 Ba\n0.471431 0.528568 0.250000 Ba\n0.528568 0.057137 0.750000 Ba\n0.528568 0.471431 0.750000 Ba\n0.836226 0.672451 0.433081 Li\n0.163774 0.836226 0.566919 Li\n0.672451 0.836226 0.566919 Li\n0.327548 0.163774 0.066919 Li\n0.836226 0.163774 0.066919 Li\n0.163774 0.327548 0.566919 Li\n0.900239 0.800477 0.750000 Li\n0.099761 0.900238 0.250000 Li\n0.800477 0.900238 0.250000 Li\n0.163774 0.836226 0.933081 Li\n0.099761 0.199523 0.250000 Li\n0.333333 0.666666 0.914635 Li\n0.666667 0.333333 0.414635 Li\n0.666667 0.333333 0.085365 Li\n0.333333 0.666666 0.585365 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.836226 0.163774 0.433081 Li\n0.836226 0.672451 0.066919 Li\n0.327548 0.163774 0.433081 Li\n0.672451 0.836226 0.933081 Li\n0.163774 0.327548 0.933081 Li\n0.900239 0.099761 0.750000 Li\n0.199523 0.099761 0.750000 Li\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Ba",
"Li"
],
"chemical_system": "Ba-Li",
"density": 1.8914483910710242,
"density_atomic": 0.034497848020914434,
"volume": 869.619460953402,
"volume_molar": 17.456569338322367,
"formula_full": "Ba6 Li24",
"formula_reduced": "BaLi4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.5304911940000001,
"spacegroup": 194
},
{
"id": "jvasp-91900",
"created_at": "2022-09-04T14:35:50.304215Z",
"updated_at": "2022-09-04T14:35:50.304229Z",
"structure_string": "Ba1 Mg7\n1.0\n7.017651 -0.000000 -0.000000\n-3.508825 6.077463 -0.000000\n-0.000000 0.000000 5.252769\nBa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ba\n0.181680 0.840840 0.250000 Mg\n0.659160 0.318319 0.250000 Mg\n0.659159 0.840840 0.250000 Mg\n0.349816 0.150184 0.750000 Mg\n0.349816 0.699633 0.750000 Mg\n0.800366 0.150184 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg",
"density": 2.2789676127424445,
"density_atomic": 0.03570981456221317,
"volume": 224.0280465770133,
"volume_molar": 16.864105383432626,
"formula_full": "Ba1 Mg7",
"formula_reduced": "BaMg7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0812471169852941,
"spacegroup": 187
}
]
}