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=-id&page=345",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=343",
"results": [
{
"id": "jvasp-91937",
"created_at": "2022-09-04T14:36:15.286037Z",
"updated_at": "2022-09-04T14:36:15.286066Z",
"structure_string": "Pr2 Sb4 Au2\n1.0\n4.478873 0.000000 0.000000\n0.000000 4.478873 0.000000\n0.000000 -0.000000 10.362443\nPr Sb Au\n2 4 2\ndirect\n0.750000 0.750000 0.752218 Pr\n0.250000 0.250000 0.247782 Pr\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.322483 Sb\n0.250000 0.250000 0.677517 Sb\n0.250000 0.750000 0.500000 Au\n0.750000 0.250000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Sb",
"Au"
],
"chemical_system": "Au-Pr-Sb",
"density": 9.288597657115448,
"density_atomic": 0.03848489767902983,
"volume": 207.87375002842083,
"volume_molar": 15.648062287252552,
"formula_full": "Pr2 Sb4 Au2",
"formula_reduced": "PrSb2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1532399050000002,
"spacegroup": 129
},
{
"id": "jvasp-91936",
"created_at": "2022-09-04T14:36:11.171597Z",
"updated_at": "2022-09-04T14:36:11.171660Z",
"structure_string": "Na1 Te1 O6\n1.0\n-4.248815 -4.248815 0.000000\n-4.248815 0.000000 -4.248815\n-0.000000 -4.248815 -4.248815\nNa Te O\n1 1 6\ndirect\n0.499999 0.499999 0.499999 Na\n0.000000 0.000000 0.000000 Te\n0.772977 0.227022 0.227022 O\n0.772977 0.227022 0.772977 O\n0.772977 0.772977 0.227022 O\n0.227022 0.772977 0.772977 O\n0.227022 0.772977 0.227022 O\n0.227022 0.227022 0.772977 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Te",
"O"
],
"chemical_system": "Na-O-Te",
"density": 2.6692198799766356,
"density_atomic": 0.052150265812879355,
"volume": 153.40286142940943,
"volume_molar": 11.547670306433481,
"formula_full": "Na1 Te1 O6",
"formula_reduced": "NaTeO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.1262684708333337,
"spacegroup": 225
},
{
"id": "jvasp-91935",
"created_at": "2022-09-04T14:36:04.428305Z",
"updated_at": "2022-09-04T14:36:04.428334Z",
"structure_string": "Re4 C4\n1.0\n-1.450688 -2.512691 -0.000000\n-1.450688 2.512691 0.000000\n0.000000 0.000000 -11.352366\nRe C\n4 4\ndirect\n0.666828 0.333173 0.126610 Re\n0.333173 0.666828 0.873390 Re\n0.333173 0.666828 0.626610 Re\n0.666828 0.333173 0.373390 Re\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.666602 0.333400 0.750000 C\n0.333400 0.666602 0.250000 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 15.908236490334076,
"density_atomic": 0.09666305221104593,
"volume": 82.76171522634601,
"volume_molar": 6.230033732901137,
"formula_full": "Re4 C4",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy_above_hull": 4.614338999999999,
"spacegroup": 194
},
{
"id": "jvasp-91934",
"created_at": "2022-09-04T14:35:59.472224Z",
"updated_at": "2022-09-04T14:35:59.472250Z",
"structure_string": "Pr2 Ag2 Sb4\n1.0\n4.417716 0.000000 0.000000\n-0.000000 4.417716 -0.000000\n-0.000000 0.000000 10.745296\nPr Ag Sb\n2 2 4\ndirect\n0.750001 0.750001 0.760853 Pr\n0.250000 0.250000 0.239148 Pr\n0.750001 0.250000 0.500000 Ag\n0.250000 0.750001 0.500000 Ag\n0.750001 0.250000 0.000000 Sb\n0.250000 0.750001 0.000000 Sb\n0.750001 0.750001 0.325282 Sb\n0.250000 0.250000 0.674718 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Ag",
"Sb"
],
"chemical_system": "Ag-Pr-Sb",
"density": 7.79634947193927,
"density_atomic": 0.038148372731880736,
"volume": 209.70750328530713,
"volume_molar": 15.786101290153526,
"formula_full": "Pr2 Ag2 Sb4",
"formula_reduced": "PrAgSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9857398275,
"spacegroup": 129
},
{
"id": "jvasp-91933",
"created_at": "2022-09-04T14:35:55.489523Z",
"updated_at": "2022-09-04T14:35:55.489545Z",
"structure_string": "Si8\n1.0\n-0.000000 3.882834 -0.000000\n-0.376562 -0.000000 6.389180\n6.963735 -1.941418 -0.412851\nSi\n8\ndirect\n0.055386 0.873919 0.110771 Si\n0.944613 0.126082 0.889230 Si\n0.558828 0.653435 0.117657 Si\n0.441171 0.346565 0.882344 Si\n0.212659 0.057438 0.425317 Si\n0.787340 0.942562 0.574684 Si\n0.727195 0.585506 0.454393 Si\n0.272804 0.414495 0.545608 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.1672310373615513,
"density_atomic": 0.04647013715597855,
"volume": 172.15356978929793,
"volume_molar": 12.959162870095446,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.0858699999999998,
"spacegroup": 12
},
{
"id": "jvasp-91932",
"created_at": "2022-09-04T14:35:48.737524Z",
"updated_at": "2022-09-04T14:35:48.737559Z",
"structure_string": "Tb2 H6\n1.0\n-1.847235 -3.199753 -0.000000\n-1.847235 3.199753 0.000000\n0.000000 -0.000000 -6.649977\nTb H\n2 6\ndirect\n0.666663 0.333340 0.750000 Tb\n0.333340 0.666663 0.250000 Tb\n-0.000002 0.000002 0.750000 H\n0.000002 -0.000002 0.250000 H\n0.666671 0.333332 0.407728 H\n0.333332 0.666671 0.592273 H\n0.333332 0.666671 0.907728 H\n0.666671 0.333332 0.092273 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"H"
],
"chemical_system": "H-Tb",
"density": 6.8417795595200515,
"density_atomic": 0.10176565788033153,
"volume": 78.61198135629778,
"volume_molar": 5.917655214376511,
"formula_full": "Tb2 H6",
"formula_reduced": "TbH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1185496,
"spacegroup": 194
},
{
"id": "jvasp-91931",
"created_at": "2022-09-04T14:35:42.674144Z",
"updated_at": "2022-09-04T14:35:42.674173Z",
"structure_string": "K3 Na1 H4\n1.0\n5.473160 0.000000 0.000000\n0.000000 5.473160 0.000000\n0.000000 0.000000 5.473160\nK Na H\n3 1 4\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Na",
"H"
],
"chemical_system": "H-K-Na",
"density": 1.4616737225300531,
"density_atomic": 0.04879502603675333,
"volume": 163.9511370272505,
"volume_molar": 12.341710311751882,
"formula_full": "K3 Na1 H4",
"formula_reduced": "K3NaH4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.954987875,
"spacegroup": 221
},
{
"id": "jvasp-9193",
"created_at": "2022-09-04T14:37:11.226112Z",
"updated_at": "2022-09-04T14:37:11.226138Z",
"structure_string": "Ba2 Al1 V3 O8\n1.0\n0.000000 3.796388 0.318930\n4.083258 0.000000 0.000000\n0.000000 -0.950584 -11.408165\nBa Al V O\n2 1 3 8\ndirect\n0.439259 0.500000 0.842592 Ba\n0.614201 0.500000 0.192712 Ba\n0.286163 0.500000 0.536633 Al\n-0.166109 0.000000 0.632166 V\n0.026005 0.000000 0.016200 V\n0.197662 0.000000 0.359727 V\n-0.185376 0.500000 0.593719 O\n0.301377 0.000000 0.567086 O\n0.520667 0.000000 0.005513 O\n0.918459 0.000000 0.800961 O\n0.208993 0.500000 0.382381 O\n0.704820 0.000000 0.374044 O\n0.112030 0.000000 0.188359 O\n0.021855 0.500000 0.007905 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"V",
"O"
],
"chemical_system": "Al-Ba-O-V",
"density": 5.507686440438296,
"density_atomic": 0.0797233592343124,
"volume": 175.60725155663656,
"volume_molar": 7.553797052505676,
"formula_full": "Ba2 Al1 V3 O8",
"formula_reduced": "Ba2AlV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.77321681,
"spacegroup": 38
},
{
"id": "jvasp-91929",
"created_at": "2022-09-04T14:36:16.899750Z",
"updated_at": "2022-09-04T14:36:16.899776Z",
"structure_string": "Sm2 Fe2 As2 O2\n1.0\n-2.793890 -2.793878 -0.000000\n-2.793890 2.793878 0.000000\n0.000000 -0.000000 -8.285860\nSm Fe As O\n2 2 2 2\ndirect\n0.250000 0.750000 0.141834 Sm\n0.750000 0.250000 0.858166 Sm\n0.250000 0.250000 0.500000 Fe\n0.750000 0.750000 0.500000 Fe\n0.250000 0.750000 0.649140 As\n0.750000 0.250000 0.350860 As\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sm",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O-Sm",
"density": 7.6284345008276295,
"density_atomic": 0.06184515169766366,
"volume": 129.35532989083472,
"volume_molar": 9.737450058235527,
"formula_full": "Sm2 Fe2 As2 O2",
"formula_reduced": "SmFeAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.94498740625,
"spacegroup": 129
},
{
"id": "jvasp-91928",
"created_at": "2022-09-04T14:36:11.200439Z",
"updated_at": "2022-09-04T14:36:11.200468Z",
"structure_string": "Si4 Ru4\n1.0\n4.763032 -0.000000 0.000000\n-0.000000 4.763032 -0.000000\n-0.000000 0.000000 4.763032\nSi Ru\n4 4\ndirect\n0.663346 0.163346 0.336654 Si\n0.163346 0.336654 0.663346 Si\n0.336654 0.663346 0.163346 Si\n0.836653 0.836653 0.836653 Si\n0.372997 0.872997 0.627002 Ru\n0.872997 0.627002 0.372997 Ru\n0.627002 0.372997 0.872997 Ru\n0.127003 0.127003 0.127003 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 7.939104088651443,
"density_atomic": 0.0740354105658261,
"volume": 108.05640083385596,
"volume_molar": 8.134135698005773,
"formula_full": "Si4 Ru4",
"formula_reduced": "SiRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.28479455,
"spacegroup": 198
},
{
"id": "jvasp-91927",
"created_at": "2022-09-04T14:36:06.390379Z",
"updated_at": "2022-09-04T14:36:06.390404Z",
"structure_string": "Ga2 Fe6\n1.0\n0.000000 -0.000000 -4.167638\n-2.580272 -4.469433 0.000000\n-2.580272 4.469433 -0.000000\nGa Fe\n2 6\ndirect\n0.750000 0.666673 0.333327 Ga\n0.250000 0.333327 0.666673 Ga\n0.750000 0.159838 0.319633 Fe\n0.750000 0.159837 0.840163 Fe\n0.750000 0.680366 0.840162 Fe\n0.250000 0.840162 0.680366 Fe\n0.250000 0.840163 0.159837 Fe\n0.250000 0.319633 0.159838 Fe\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.197134336619596,
"density_atomic": 0.08322466988815834,
"volume": 96.12534373222289,
"volume_molar": 7.236004381985374,
"formula_full": "Ga2 Fe6",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.43714970625,
"spacegroup": 194
},
{
"id": "jvasp-91926",
"created_at": "2022-09-04T14:36:00.712113Z",
"updated_at": "2022-09-04T14:36:00.712148Z",
"structure_string": "Tl2 Sn1 Hg1 Se4\n1.0\n-4.051719 4.051719 -3.515488\n4.051719 -4.051719 -3.515488\n-4.051719 -4.051719 3.515488\nTl Sn Hg Se\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Hg\n0.944541 0.944541 0.351700 Se\n0.592841 0.592841 0.648300 Se\n0.055460 0.407160 0.000000 Se\n0.407160 0.055460 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Sn",
"Hg",
"Se"
],
"chemical_system": "Hg-Se-Sn-Tl",
"density": 7.509075893463127,
"density_atomic": 0.03465498696805635,
"volume": 230.84700644597257,
"volume_molar": 17.377414585528424,
"formula_full": "Tl2 Sn1 Hg1 Se4",
"formula_reduced": "Tl2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.3982581208333333,
"spacegroup": 121
}
]
}