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=-formula_reduced&page=686",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=684",
"results": [
{
"id": "jvasp-37421",
"created_at": "2022-09-04T14:38:02.276484Z",
"updated_at": "2022-09-04T14:38:02.276500Z",
"structure_string": "Th3 B1\n1.0\n4.699900 -0.000000 -0.000000\n-0.000000 4.699900 0.000000\n0.000000 0.000000 4.699900\nTh B\n3 1\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"B"
],
"chemical_system": "B-Th",
"density": 11.307242230076048,
"density_atomic": 0.038529567918611146,
"volume": 103.81637314099903,
"volume_molar": 15.629920306194489,
"formula_full": "Th3 B1",
"formula_reduced": "Th3B",
"formula_anonymous": "AB3",
"energy_above_hull": 3.778319845833334,
"spacegroup": 221
},
{
"id": "jvasp-37375",
"created_at": "2022-09-04T14:38:02.604733Z",
"updated_at": "2022-09-04T14:38:02.604762Z",
"structure_string": "Th3 Au1\n1.0\n4.875384 0.000000 -0.000000\n-0.000000 4.875384 -0.000000\n0.000000 0.000000 4.875384\nTh Au\n3 1\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Au"
],
"chemical_system": "Au-Th",
"density": 12.797152407772074,
"density_atomic": 0.03451703700463879,
"volume": 115.88480203160066,
"volume_molar": 17.44686474447583,
"formula_full": "Th3 Au1",
"formula_reduced": "Th3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5969660925,
"spacegroup": 221
},
{
"id": "jvasp-9149",
"created_at": "2022-09-04T14:37:11.079999Z",
"updated_at": "2022-09-04T14:37:11.080028Z",
"structure_string": "Th6 As8\n1.0\n7.279681 -0.000000 -2.573756\n-3.639841 6.304389 -2.573756\n0.000000 0.000000 7.721268\nTh As\n6 8\ndirect\n0.750000 0.875000 0.124999 Th\n0.625000 0.375000 0.250000 Th\n0.875000 0.125000 0.750000 Th\n0.125000 0.750000 0.875000 Th\n0.375000 0.250000 0.625000 Th\n0.250000 0.625000 0.375000 Th\n0.657167 0.657167 0.657166 As\n0.342833 0.500000 -0.000000 As\n0.500000 -0.000000 0.342833 As\n0.000000 0.342833 0.500000 As\n0.500000 -0.000000 0.842833 As\n0.000000 0.842833 0.500000 As\n0.157167 0.157167 0.157167 As\n0.842833 0.500000 -0.000001 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Th",
"As"
],
"chemical_system": "As-Th",
"density": 9.332703960745938,
"density_atomic": 0.03950791016782782,
"volume": 354.3594166466571,
"volume_molar": 15.242873476268972,
"formula_full": "Th6 As8",
"formula_reduced": "Th3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.964471971428571,
"spacegroup": 220
},
{
"id": "jvasp-57690",
"created_at": "2022-09-04T14:37:11.673229Z",
"updated_at": "2022-09-04T14:37:11.673249Z",
"structure_string": "Th6 Al4\n1.0\n8.124727 0.000000 -0.000000\n0.000000 8.124727 0.000000\n-0.000000 -0.000000 4.288751\nTh Al\n6 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.000000 Th\n0.677620 0.177620 0.500000 Th\n0.177620 0.322380 0.500000 Th\n0.822381 0.677620 0.500000 Th\n0.322380 0.822381 0.500000 Th\n0.883375 0.383375 0.000000 Al\n0.383375 0.116626 0.000000 Al\n0.616626 0.883375 0.000000 Al\n0.116626 0.616626 0.000000 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 8.799068611599035,
"density_atomic": 0.03532251461140495,
"volume": 283.1055520823876,
"volume_molar": 17.04901484577649,
"formula_full": "Th6 Al4",
"formula_reduced": "Th3Al2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8270024800000004,
"spacegroup": 127
},
{
"id": "jvasp-14529",
"created_at": "2022-09-04T14:38:12.429956Z",
"updated_at": "2022-09-04T14:38:12.429986Z",
"structure_string": "Th4 Zn2\n1.0\n4.995986 -0.000000 2.621632\n2.497993 5.393440 1.310816\n-0.008115 -0.000000 6.086652\nTh Zn\n4 2\ndirect\n0.658986 0.182028 0.500000 Th\n0.841013 0.500000 0.817972 Th\n0.341013 0.817972 0.500001 Th\n0.158986 0.500000 0.182029 Th\n0.750001 0.000000 -0.000000 Zn\n0.250000 0.000000 -0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 10.714294579690254,
"density_atomic": 0.03655796226641695,
"volume": 164.12293322792087,
"volume_molar": 16.47285676404368,
"formula_full": "Th4 Zn2",
"formula_reduced": "Th2Zn",
"formula_anonymous": "AB2",
"energy_above_hull": 1.760980766666667,
"spacegroup": 140
},
{
"id": "jvasp-93770",
"created_at": "2022-09-04T14:36:21.678166Z",
"updated_at": "2022-09-04T14:36:21.678175Z",
"structure_string": "Th4 Tl2\n1.0\n0.000000 -0.000000 -6.268752\n-3.874431 3.874431 -3.134376\n3.874431 3.874431 -3.134376\nTh Tl\n4 2\ndirect\n0.347811 0.500000 0.804381 Th\n0.652190 0.500000 0.195619 Th\n0.847811 0.804381 0.500000 Th\n0.152190 0.195619 0.500000 Th\n0.750000 0.000000 0.000000 Tl\n0.250000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Tl"
],
"chemical_system": "Th-Tl",
"density": 11.795794407529565,
"density_atomic": 0.031880439798146164,
"volume": 188.20317530089085,
"volume_molar": 18.889766885682,
"formula_full": "Th4 Tl2",
"formula_reduced": "Th2Tl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7767679333333333,
"spacegroup": 140
},
{
"id": "jvasp-2586",
"created_at": "2022-09-04T14:36:53.875061Z",
"updated_at": "2022-09-04T14:36:53.875085Z",
"structure_string": "Th2 Te1 N2\n1.0\n3.944206 0.000000 -1.183574\n-0.355166 3.928183 -1.183574\n0.003381 0.003701 7.174997\nTh Te N\n2 1 2\ndirect\n0.337209 0.337209 0.674417 Th\n0.662791 0.662791 0.325584 Th\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500001 N\n0.249999 0.749999 0.500001 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Te",
"N"
],
"chemical_system": "N-Te-Th",
"density": 9.253696663749725,
"density_atomic": 0.044963697206547325,
"volume": 111.20082000890113,
"volume_molar": 13.393339814420543,
"formula_full": "Th2 Te1 N2",
"formula_reduced": "Th2TeN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.432999093333333,
"spacegroup": 139
},
{
"id": "jvasp-2634",
"created_at": "2022-09-04T14:36:59.752510Z",
"updated_at": "2022-09-04T14:36:59.752540Z",
"structure_string": "Th2 S1 N2\n1.0\n2.013654 -3.487751 -0.000000\n2.013654 3.487751 0.000000\n-0.000000 -0.000000 6.949574\nTh S N\n2 1 2\ndirect\n0.666666 0.333332 0.287316 Th\n0.333332 0.666666 0.712683 Th\n0.000000 0.000000 0.000000 S\n0.333332 0.666666 0.367880 N\n0.666666 0.333332 0.632119 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"S",
"N"
],
"chemical_system": "N-S-Th",
"density": 8.91640798850037,
"density_atomic": 0.05122140699930798,
"volume": 97.61543645350375,
"volume_molar": 11.757077973436697,
"formula_full": "Th2 S1 N2",
"formula_reduced": "Th2SN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.59830154,
"spacegroup": 164
},
{
"id": "jvasp-106718",
"created_at": "2022-09-04T14:38:44.770568Z",
"updated_at": "2022-09-04T14:38:44.770598Z",
"structure_string": "Th4 Si2 Ge2\n1.0\n4.312478 0.000000 0.000000\n0.000000 5.942591 0.000000\n0.000000 0.000000 7.898988\nTh Si Ge\n4 2 2\ndirect\n-0.000000 0.115228 0.682873 Th\n-0.000000 0.884772 0.182872 Th\n0.500000 0.380515 0.318292 Th\n0.500000 0.619485 0.818292 Th\n0.500000 0.900746 0.456480 Si\n0.500000 0.099254 0.956480 Si\n-0.000000 0.601665 0.542356 Ge\n-0.000000 0.398335 0.042356 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ge"
],
"chemical_system": "Ge-Si-Th",
"density": 9.266182283733698,
"density_atomic": 0.039519896589352316,
"volume": 202.42967948846828,
"volume_molar": 15.23825029851551,
"formula_full": "Th4 Si2 Ge2",
"formula_reduced": "Th2SiGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4805489375,
"spacegroup": 26
},
{
"id": "jvasp-99551",
"created_at": "2022-09-04T14:36:48.245855Z",
"updated_at": "2022-09-04T14:36:48.245882Z",
"structure_string": "Th2 Si3 Ru1\n1.0\n4.069811 -0.000584 -6.669920\n-0.314821 3.929327 -6.746293\n0.016123 0.000584 7.813509\nTh Si Ru\n2 3 1\ndirect\n0.748984 0.248985 0.500000 Th\n0.002539 0.002539 0.000000 Th\n0.584071 0.584072 0.000001 Si\n0.329892 0.829892 0.500001 Si\n0.418489 0.418489 0.000001 Si\n0.166024 0.666025 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Th",
"density": 8.600097179442155,
"density_atomic": 0.04785105035348717,
"volume": 125.3890971185912,
"volume_molar": 12.585179876957778,
"formula_full": "Th2 Si3 Ru1",
"formula_reduced": "Th2Si3Ru",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.6963679166666665,
"spacegroup": 44
},
{
"id": "jvasp-102176",
"created_at": "2022-09-04T14:36:40.334664Z",
"updated_at": "2022-09-04T14:36:40.334687Z",
"structure_string": "Th2 Si3 Os1\n1.0\n4.074559 0.001704 -6.666786\n-0.322162 3.951940 -6.732493\n0.019487 -0.001704 7.813302\nTh Si Os\n2 3 1\ndirect\n0.749587 0.249586 0.500000 Th\n0.003104 0.003104 -0.000000 Th\n0.583918 0.583917 -0.000000 Si\n0.330114 0.830113 0.500001 Si\n0.417874 0.417873 -0.000000 Si\n0.165405 0.665405 0.500001 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Os"
],
"chemical_system": "Os-Si-Th",
"density": 9.711840122093614,
"density_atomic": 0.047513426775437025,
"volume": 126.28009401127461,
"volume_molar": 12.674608355365477,
"formula_full": "Th2 Si3 Os1",
"formula_reduced": "Th2Si3Os",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.9761236666666666,
"spacegroup": 44
},
{
"id": "jvasp-102667",
"created_at": "2022-09-04T14:36:51.424172Z",
"updated_at": "2022-09-04T14:36:51.424193Z",
"structure_string": "Th2 Si3 Ir1\n1.0\n4.077228 -0.015865 -6.566246\n-0.311526 3.959645 -6.630519\n-0.001961 0.015865 7.729125\nTh Si Ir\n2 3 1\ndirect\n0.751514 0.251513 0.499999 Th\n0.001256 0.001256 -0.000000 Th\n0.583718 0.583717 -0.000002 Si\n0.331681 0.831680 0.499998 Si\n0.416756 0.416756 -0.000001 Si\n0.165076 0.665076 0.499999 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Th",
"density": 9.825599019208068,
"density_atomic": 0.04794099309545568,
"volume": 125.1538529469624,
"volume_molar": 12.561568651715806,
"formula_full": "Th2 Si3 Ir1",
"formula_reduced": "Th2Si3Ir",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.6879480166666654,
"spacegroup": 44
}
]
}