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=272",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=270",
"results": [
{
"id": "jvasp-17890",
"created_at": "2022-09-04T14:38:13.236402Z",
"updated_at": "2022-09-04T14:38:13.236418Z",
"structure_string": "Tb3 Pb1 C1\n1.0\n5.668313 0.000000 -0.000000\n-0.000000 5.668313 -0.000000\n0.000000 0.000000 5.668313\nTb Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Pb",
"C"
],
"chemical_system": "C-Pb-Tb",
"density": 6.345832406831818,
"density_atomic": 0.02745418357929749,
"volume": 182.12160582223157,
"volume_molar": 21.93523891397428,
"formula_full": "Tb3 Pb1 C1",
"formula_reduced": "Tb3PbC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5705312040000003,
"spacegroup": 221
},
{
"id": "jvasp-36947",
"created_at": "2022-09-04T14:38:17.541656Z",
"updated_at": "2022-09-04T14:38:17.541669Z",
"structure_string": "In1 Pb1 Cl3\n1.0\n5.667812 0.011944 0.067344\n-0.034905 5.668057 0.050269\n-0.046215 -0.030384 5.668052\nIn Pb Cl\n1 1 3\ndirect\n0.927852 0.915877 0.086178 In\n0.507647 0.495720 0.506285 Pb\n0.557497 -0.000898 0.458166 Cl\n0.011061 0.543938 0.456497 Cl\n0.555939 0.545368 0.002868 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"In",
"Pb",
"Cl"
],
"chemical_system": "Cl-In-Pb",
"density": 3.9059197391731697,
"density_atomic": 0.027454786875453184,
"volume": 182.1176038510941,
"volume_molar": 21.93475690530413,
"formula_full": "In1 Pb1 Cl3",
"formula_reduced": "InPbCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0131359999999999,
"spacegroup": 160
},
{
"id": "jvasp-66151",
"created_at": "2022-09-04T14:36:05.844207Z",
"updated_at": "2022-09-04T14:36:05.844232Z",
"structure_string": "Ba4 V1 Ru1\n1.0\n0.000000 4.780803 4.780803\n4.780803 -0.000000 4.780803\n4.780803 4.780803 -0.000000\nBa V Ru\n4 1 1\ndirect\n0.126530 0.624490 0.624490 Ba\n0.624490 0.624490 0.624490 Ba\n0.624490 0.126530 0.624490 Ba\n0.624490 0.624490 0.126530 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Ru"
],
"chemical_system": "Ba-Ru-V",
"density": 5.328837432143092,
"density_atomic": 0.027454826892404343,
"volume": 218.54080608535764,
"volume_molar": 21.93472493416481,
"formula_full": "Ba4 V1 Ru1",
"formula_reduced": "Ba4VRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7157230966666666,
"spacegroup": 216
},
{
"id": "jvasp-65585",
"created_at": "2022-09-04T14:36:03.042081Z",
"updated_at": "2022-09-04T14:36:03.042113Z",
"structure_string": "Ba2 Mn1 Tl1\n1.0\n-0.000000 4.176330 4.176330\n4.176330 0.000000 4.176330\n4.176330 4.176330 -0.000000\nBa Mn Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Tl"
],
"chemical_system": "Ba-Mn-Tl",
"density": 6.086335424985297,
"density_atomic": 0.027456525098178305,
"volume": 145.6848594531503,
"volume_molar": 21.933368255692194,
"formula_full": "Ba2 Mn1 Tl1",
"formula_reduced": "Ba2MnTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8090204453448275,
"spacegroup": 225
},
{
"id": "jvasp-65769",
"created_at": "2022-09-04T14:35:42.255119Z",
"updated_at": "2022-09-04T14:35:42.255150Z",
"structure_string": "Ba2 Sb1 Br1\n1.0\n0.000000 4.176257 4.176257\n4.176257 -0.000000 4.176257\n4.176257 4.176257 -0.000000\nBa Sb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Br"
],
"chemical_system": "Ba-Br-Sb",
"density": 5.4294325944624235,
"density_atomic": 0.027457964924343846,
"volume": 145.67722010794967,
"volume_molar": 21.932218125389383,
"formula_full": "Ba2 Sb1 Br1",
"formula_reduced": "Ba2SbBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110660",
"created_at": "2022-09-04T14:38:36.529598Z",
"updated_at": "2022-09-04T14:38:36.529632Z",
"structure_string": "K2 Na1 Nd1 Br6\n1.0\n6.941896 -0.000000 4.007905\n2.313965 6.544882 4.007905\n-0.000000 -0.000000 8.015811\nK Na Nd Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.748127 0.251873 0.251874 Br\n0.251874 0.251873 0.748127 Br\n0.251874 0.748126 0.748127 Br\n0.251874 0.748126 0.251874 Br\n0.748127 0.251873 0.748127 Br\n0.748128 0.748126 0.251874 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Nd",
"Br"
],
"chemical_system": "Br-K-Na-Nd",
"density": 3.3049985073324493,
"density_atomic": 0.02745823435659587,
"volume": 364.189476647753,
"volume_molar": 21.932002916835017,
"formula_full": "K2 Na1 Nd1 Br6",
"formula_reduced": "K2NaNdBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37134",
"created_at": "2022-09-04T14:38:09.604451Z",
"updated_at": "2022-09-04T14:38:09.604476Z",
"structure_string": "Nd1 Tl1 Te2\n1.0\n-2.275944 -3.942050 0.000000\n-4.551887 0.000000 0.000000\n-2.275944 -1.314017 -8.117871\nNd Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500000 Tl\n0.740797 0.740795 0.777613 Te\n0.259204 0.259204 0.222387 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Tl",
"Te"
],
"chemical_system": "Nd-Te-Tl",
"density": 6.883426142003797,
"density_atomic": 0.027460234708638988,
"volume": 145.66517884647214,
"volume_molar": 21.930405271100742,
"formula_full": "Nd1 Tl1 Te2",
"formula_reduced": "NdTlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4284749083333334,
"spacegroup": 166
},
{
"id": "jvasp-117814",
"created_at": "2022-09-04T14:38:51.621539Z",
"updated_at": "2022-09-04T14:38:51.621568Z",
"structure_string": "Rb1 In1 Br3\n1.0\n5.667795 0.000000 -0.000000\n0.000000 5.667795 -0.000000\n0.000000 0.000000 5.667795\nRb In Br\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 4.01288950172531,
"density_atomic": 0.027461711674544052,
"volume": 182.0716807188245,
"volume_molar": 21.929225793970783,
"formula_full": "Rb1 In1 Br3",
"formula_reduced": "RbInBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0020099999999999,
"spacegroup": 221
},
{
"id": "jvasp-66526",
"created_at": "2022-09-04T14:35:44.688337Z",
"updated_at": "2022-09-04T14:35:44.688363Z",
"structure_string": "Ba4 Zr1 Ir1\n1.0\n-0.000000 4.780397 4.780397\n4.780397 0.000000 4.780397\n4.780397 4.780397 -0.000000\nBa Zr Ir\n4 1 1\ndirect\n0.127995 0.624002 0.624002 Ba\n0.624002 0.624002 0.624002 Ba\n0.624002 0.127995 0.624002 Ba\n0.624002 0.624002 0.127995 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ir"
],
"chemical_system": "Ba-Ir-Zr",
"density": 6.329090797141461,
"density_atomic": 0.02746182271708145,
"volume": 218.48513340915122,
"volume_molar": 21.929137122621455,
"formula_full": "Ba4 Zr1 Ir1",
"formula_reduced": "Ba4ZrIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6608365799999998,
"spacegroup": 216
},
{
"id": "jvasp-114953",
"created_at": "2022-09-04T14:38:44.258847Z",
"updated_at": "2022-09-04T14:38:44.258875Z",
"structure_string": "Ga2 I1\n1.0\n5.728595 0.000000 0.000000\n0.000000 3.708807 0.000000\n0.000000 0.000000 5.141646\nGa I\n2 1\ndirect\n-0.033494 0.000000 0.752424 Ga\n-0.033494 0.000000 0.247577 Ga\n0.466989 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"I"
],
"chemical_system": "Ga-I",
"density": 4.048722759407782,
"density_atomic": 0.027462288724846448,
"volume": 109.24071296671484,
"volume_molar": 21.928765006943795,
"formula_full": "Ga2 I1",
"formula_reduced": "Ga2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0209999999999999,
"spacegroup": 47
},
{
"id": "jvasp-66132",
"created_at": "2022-09-04T14:35:45.412811Z",
"updated_at": "2022-09-04T14:35:45.412841Z",
"structure_string": "Ba4 Co1 P1\n1.0\n-0.000000 4.780285 4.780285\n4.780285 -0.000000 4.780285\n4.780285 4.780285 -0.000000\nBa Co P\n4 1 1\ndirect\n0.123867 0.625377 0.625377 Ba\n0.625377 0.625377 0.625377 Ba\n0.625377 0.123867 0.625377 Ba\n0.625377 0.625377 0.123867 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"P"
],
"chemical_system": "Ba-Co-P",
"density": 4.858527445647007,
"density_atomic": 0.02746375301802025,
"volume": 218.46977709357932,
"volume_molar": 21.927595824389307,
"formula_full": "Ba4 Co1 P1",
"formula_reduced": "Ba4CoP",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1175750466666667,
"spacegroup": 216
},
{
"id": "jvasp-122575",
"created_at": "2022-09-04T14:38:51.429513Z",
"updated_at": "2022-09-04T14:38:51.429531Z",
"structure_string": "In1 Sn7\n1.0\n6.628710 -0.000000 -0.000000\n0.000000 6.628710 0.000000\n0.000000 -0.000000 6.628710\nIn Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 In\n0.248039 0.248039 0.748039 Sn\n0.000000 0.500000 0.000000 Sn\n0.248039 0.751961 0.251961 Sn\n0.500000 0.000000 0.000000 Sn\n0.751961 0.248039 0.251961 Sn\n0.500000 0.500000 0.500000 Sn\n0.751961 0.751961 0.748039 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Sn"
],
"chemical_system": "In-Sn",
"density": 5.392073935734452,
"density_atomic": 0.027466475142879067,
"volume": 291.26416689380227,
"volume_molar": 21.92542264223262,
"formula_full": "In1 Sn7",
"formula_reduced": "InSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.4006180833333333,
"spacegroup": 215
}
]
}