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=density_atomic&page=1575",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1573",
"results": [
{
"id": "jvasp-18471",
"created_at": "2022-09-04T14:36:33.168182Z",
"updated_at": "2022-09-04T14:36:33.168206Z",
"structure_string": "Ti2 I2 N2\n1.0\n3.536818 0.000000 0.000000\n0.000000 3.964923 0.000000\n0.000000 0.000000 9.061581\nTi I N\n2 2 2\ndirect\n0.000000 0.500000 0.923067 Ti\n0.500000 0.000000 0.076933 Ti\n0.500000 0.500000 0.680076 I\n0.000000 0.000000 0.319924 I\n0.000000 0.000000 0.964368 N\n0.500000 0.500000 0.035632 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"I",
"N"
],
"chemical_system": "I-N-Ti",
"density": 4.933775888341353,
"density_atomic": 0.04721715369126653,
"volume": 127.0724626738732,
"volume_molar": 12.754137615698506,
"formula_full": "Ti2 I2 N2",
"formula_reduced": "TiIN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.140472619444444,
"spacegroup": 59
},
{
"id": "jvasp-5395",
"created_at": "2022-09-04T14:38:15.861262Z",
"updated_at": "2022-09-04T14:38:15.861295Z",
"structure_string": "Ti2 I2 N2\n1.0\n3.536817 0.000000 0.000000\n0.000000 3.964859 0.000000\n0.000000 0.000000 9.061728\nTi I N\n2 2 2\ndirect\n0.000000 0.500000 0.923064 Ti\n0.500000 0.000000 0.076936 Ti\n0.500000 0.500000 0.680078 I\n0.000000 0.000000 0.319922 I\n0.000000 0.000000 0.964371 N\n0.500000 0.500000 0.035629 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"I",
"N"
],
"chemical_system": "I-N-Ti",
"density": 4.933776886032288,
"density_atomic": 0.0472171632393545,
"volume": 127.07243697772864,
"volume_molar": 12.754135036601847,
"formula_full": "Ti2 I2 N2",
"formula_reduced": "TiIN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.140472619444444,
"spacegroup": 59
},
{
"id": "jvasp-79955",
"created_at": "2022-09-04T14:37:17.958070Z",
"updated_at": "2022-09-04T14:37:17.958096Z",
"structure_string": "Y1 Th1 Ru2\n1.0\n-0.000001 3.485833 3.485831\n3.485829 -0.000000 3.485829\n3.485829 3.485831 0.000001\nY Th Ru\n1 1 2\ndirect\n0.750000 0.750002 0.750001 Y\n0.250000 0.250000 0.250000 Th\n0.000000 0.000000 0.000000 Ru\n0.499999 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Th",
"Ru"
],
"chemical_system": "Ru-Th-Y",
"density": 10.253490393939074,
"density_atomic": 0.04721839939978099,
"volume": 84.71274017853628,
"volume_molar": 12.753801138011324,
"formula_full": "Y1 Th1 Ru2",
"formula_reduced": "YThRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6998155125,
"spacegroup": 225
},
{
"id": "jvasp-107375",
"created_at": "2022-09-04T14:36:59.492982Z",
"updated_at": "2022-09-04T14:36:59.493001Z",
"structure_string": "Zn1 Pb2 N2\n1.0\n3.185324 0.000486 -1.791286\n-2.096085 2.992815 -0.000000\n-0.030444 -0.021322 11.131981\nZn Pb N\n1 2 2\ndirect\n0.000001 0.000000 0.500000 Zn\n0.698157 0.349080 0.182569 Pb\n0.301842 0.650921 0.817431 Pb\n0.401201 0.200601 0.700437 N\n0.598798 0.799400 0.299562 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Pb",
"N"
],
"chemical_system": "N-Pb-Zn",
"density": 7.963522057950654,
"density_atomic": 0.04721872331243835,
"volume": 105.89019882888067,
"volume_molar": 12.753713649038133,
"formula_full": "Zn1 Pb2 N2",
"formula_reduced": "Zn(PbN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.018605708,
"spacegroup": 164
},
{
"id": "jvasp-75489",
"created_at": "2022-09-04T14:36:07.495801Z",
"updated_at": "2022-09-04T14:36:07.495823Z",
"structure_string": "Te1 As1 Rh1\n1.0\n0.000000 3.167065 3.167065\n3.167065 -0.000000 3.167065\n3.167065 3.167065 0.000000\nTe As Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Te\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Te",
"As",
"Rh"
],
"chemical_system": "As-Rh-Te",
"density": 7.982809031138639,
"density_atomic": 0.0472193852434797,
"volume": 63.533228662994,
"volume_molar": 12.75353486486055,
"formula_full": "Te1 As1 Rh1",
"formula_reduced": "TeAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7460308388888892,
"spacegroup": 216
},
{
"id": "jvasp-115669",
"created_at": "2022-09-04T14:38:44.516325Z",
"updated_at": "2022-09-04T14:38:44.516354Z",
"structure_string": "Ga1 Bi1 S3\n1.0\n4.730940 0.000000 0.000000\n0.000000 4.730940 0.000000\n0.000000 0.000000 4.730940\nGa Bi S\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.500000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ga",
"Bi",
"S"
],
"chemical_system": "Bi-Ga-S",
"density": 5.879228828622657,
"density_atomic": 0.04722018496004645,
"volume": 105.88692111711461,
"volume_molar": 12.753318872205613,
"formula_full": "Ga1 Bi1 S3",
"formula_reduced": "GaBiS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.295943325,
"spacegroup": 221
},
{
"id": "jvasp-87009",
"created_at": "2022-09-04T14:35:48.343081Z",
"updated_at": "2022-09-04T14:35:48.343106Z",
"structure_string": "La2 Se2 F2\n1.0\n4.229254 -0.000000 0.000000\n-2.114627 3.662641 -0.000000\n0.000000 -0.000000 8.202735\nLa Se F\n2 2 2\ndirect\n0.333332 0.666667 0.250000 La\n0.666666 0.333333 0.750000 La\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.666666 0.333333 0.250000 F\n0.333332 0.666667 0.750000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Se",
"F"
],
"chemical_system": "F-La-Se",
"density": 6.1910044619710325,
"density_atomic": 0.04722092038558525,
"volume": 127.0623264224128,
"volume_molar": 12.753120250147285,
"formula_full": "La2 Se2 F2",
"formula_reduced": "LaSeF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-29244",
"created_at": "2022-09-04T14:38:03.653625Z",
"updated_at": "2022-09-04T14:38:03.653645Z",
"structure_string": "Sb8 Br4 O10\n1.0\n5.181829 0.000000 0.000000\n0.000000 6.577290 -0.879948\n0.000000 0.095104 13.656607\nSb Br O\n8 4 10\ndirect\n0.778228 0.820878 0.948397 Sb\n0.278227 0.179121 0.551604 Sb\n0.221773 0.179122 0.051603 Sb\n0.721773 0.820878 0.448397 Sb\n0.876046 0.195568 0.797892 Sb\n0.376046 0.804431 0.702108 Sb\n0.123955 0.804432 0.202108 Sb\n0.623955 0.195568 0.297892 Sb\n0.791400 0.503281 0.617932 Br\n0.291400 0.496718 0.882068 Br\n0.208601 0.496718 0.382068 Br\n0.708601 0.503282 0.117932 Br\n0.162569 0.075036 0.709865 O\n0.337431 0.075036 0.209865 O\n0.837431 0.924964 0.290135 O\n0.993457 0.931997 0.082539 O\n0.493457 0.068003 0.417461 O\n0.006543 0.068003 0.917461 O\n0.506544 0.931996 0.582539 O\n0.500000 0.000000 0.000000 O\n0.000000 -0.000000 0.500000 O\n0.662569 0.924963 0.790135 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.181357830796882,
"density_atomic": 0.04722210762314819,
"volume": 465.8834835490409,
"volume_molar": 12.752799616779402,
"formula_full": "Sb8 Br4 O10",
"formula_reduced": "Sb4Br2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.898088191818182,
"spacegroup": 14
},
{
"id": "jvasp-37488",
"created_at": "2022-09-04T14:38:04.235663Z",
"updated_at": "2022-09-04T14:38:04.235681Z",
"structure_string": "Yb1 Sm1 Pt2\n1.0\n-0.000000 3.485693 3.485693\n3.485693 0.000000 3.485693\n3.485693 3.485693 0.000000\nYb Sm Pt\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Yb\n0.250000 0.250000 0.250000 Sm\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"Pt"
],
"chemical_system": "Pt-Sm-Yb",
"density": 13.98901271210576,
"density_atomic": 0.04722398071373329,
"volume": 84.70272813822221,
"volume_molar": 12.752293790109672,
"formula_full": "Yb1 Sm1 Pt2",
"formula_reduced": "YbSmPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.18098559375,
"spacegroup": 225
},
{
"id": "jvasp-93161",
"created_at": "2022-09-04T14:35:49.524879Z",
"updated_at": "2022-09-04T14:35:49.524907Z",
"structure_string": "Li1 Mg6 Ga1\n1.0\n6.256828 0.000131 0.000000\n-3.128300 5.418375 0.000000\n0.000000 0.000000 4.996591\nLi Mg Ga\n1 6 1\ndirect\n0.166120 0.333059 0.250000 Li\n0.668869 0.332871 0.250000 Mg\n0.668869 0.835997 0.250000 Mg\n0.327156 0.163860 0.750000 Mg\n0.327156 0.663296 0.750000 Mg\n0.836197 0.168098 0.750000 Mg\n0.835704 0.667852 0.750000 Mg\n0.169928 0.834963 0.250000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ga"
],
"chemical_system": "Ga-Li-Mg",
"density": 2.181047254032772,
"density_atomic": 0.04722670659895858,
"volume": 169.39567833799387,
"volume_molar": 12.751557738588525,
"formula_full": "Li1 Mg6 Ga1",
"formula_reduced": "LiMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-23750",
"created_at": "2022-09-04T14:37:33.601170Z",
"updated_at": "2022-09-04T14:37:33.601181Z",
"structure_string": "In12 Co4\n1.0\n6.882219 0.000000 0.000000\n0.000000 6.882219 0.000000\n0.000000 0.000000 7.152689\nIn Co\n12 4\ndirect\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.153530 0.153530 0.257075 In\n0.346471 0.653530 0.757075 In\n0.653530 0.346471 0.757075 In\n0.653530 0.346471 0.242925 In\n0.346471 0.653530 0.242925 In\n0.846471 0.846471 0.257075 In\n0.153530 0.153530 0.742926 In\n0.846471 0.846471 0.742926 In\n0.346664 0.346664 0.000000 Co\n0.153336 0.846664 0.500000 Co\n0.846664 0.153336 0.500000 Co\n0.653336 0.653336 0.000000 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Co"
],
"chemical_system": "Co-In",
"density": 7.908695924821301,
"density_atomic": 0.04722735941459047,
"volume": 338.7866736215818,
"volume_molar": 12.751381476008405,
"formula_full": "In12 Co4",
"formula_reduced": "In3Co",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4491577025000001,
"spacegroup": 136
},
{
"id": "jvasp-59709",
"created_at": "2022-09-04T14:37:05.582232Z",
"updated_at": "2022-09-04T14:37:05.582258Z",
"structure_string": "In4 Co2 S8\n1.0\n6.481490 0.000000 3.742091\n2.160496 6.110808 3.742091\n-0.000000 -0.000000 7.484180\nIn Co S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.875000 0.875000 0.875000 Co\n0.125000 0.125000 0.125000 Co\n0.750024 0.750024 0.750023 S\n0.249977 0.249977 0.750071 S\n0.249977 0.750071 0.249976 S\n0.750071 0.249977 0.249976 S\n0.750023 0.249929 0.750023 S\n0.249929 0.750024 0.750023 S\n0.249977 0.249977 0.249977 S\n0.750024 0.750024 0.249929 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"In",
"Co",
"S"
],
"chemical_system": "Co-In-S",
"density": 4.67002821957008,
"density_atomic": 0.047229170477848796,
"volume": 296.42697210966713,
"volume_molar": 12.750892507892926,
"formula_full": "In4 Co2 S8",
"formula_reduced": "In2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.544802977142857,
"spacegroup": 227
}
]
}