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&page=455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=453",
"results": [
{
"id": "jvasp-52653",
"created_at": "2022-09-04T14:37:30.326173Z",
"updated_at": "2022-09-04T14:37:30.326195Z",
"structure_string": "Hf4 O8\n1.0\n5.037152 0.000000 0.000000\n0.000000 5.064610 0.000000\n0.000000 0.000000 5.252929\nHf O\n4 8\ndirect\n0.267306 0.241650 0.032824 Hf\n0.267306 0.741650 0.467176 Hf\n0.732693 0.241650 0.532824 Hf\n0.732693 0.741650 0.967176 Hf\n0.071110 0.379698 0.367718 O\n0.071110 0.879698 0.132282 O\n0.459999 0.491652 0.733445 O\n0.459999 0.991652 0.766556 O\n0.540001 0.991652 0.266555 O\n0.540001 0.491652 0.233445 O\n0.928890 0.379698 0.867718 O\n0.928890 0.879698 0.632282 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"O"
],
"chemical_system": "Hf-O",
"density": 10.432910597289613,
"density_atomic": 0.08954650723708706,
"volume": 134.00857688651442,
"volume_molar": 6.72515427548227,
"formula_full": "Hf4 O8",
"formula_reduced": "HfO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7834499999999998,
"spacegroup": 29
},
{
"id": "jvasp-101041",
"created_at": "2022-09-04T14:36:34.441927Z",
"updated_at": "2022-09-04T14:36:34.441948Z",
"structure_string": "Zn1 In1 Rh2\n1.0\n3.835895 -0.000000 2.214655\n1.278632 3.616516 2.214655\n-0.000000 -0.000000 4.429310\nZn In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500001 0.499999 In\n0.250000 0.250000 0.250000 Rh\n0.749999 0.750001 0.749999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"In",
"Rh"
],
"chemical_system": "In-Rh-Zn",
"density": 10.432441930083062,
"density_atomic": 0.06509787512648751,
"volume": 61.44593801606974,
"volume_molar": 9.250902196575177,
"formula_full": "Zn1 In1 Rh2",
"formula_reduced": "ZnInRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8264940925000002,
"spacegroup": 225
},
{
"id": "jvasp-80901",
"created_at": "2022-09-04T14:37:19.075477Z",
"updated_at": "2022-09-04T14:37:19.075504Z",
"structure_string": "Ag1 Sb1 Pd2\n1.0\n-10.285045 -3.830998 -2.905298\n-7.679160 -2.260033 0.592256\n-4.516167 1.035995 -0.179360\nAg Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 -0.000000 -0.000000 Sb\n0.750034 -0.000058 -0.000020 Pd\n0.249967 0.000058 0.000020 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Pd"
],
"chemical_system": "Ag-Pd-Sb",
"density": 10.431888694874802,
"density_atomic": 0.05679260307059245,
"volume": 70.43170736562388,
"volume_molar": 10.603741393072893,
"formula_full": "Ag1 Sb1 Pd2",
"formula_reduced": "AgSbPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.10038869,
"spacegroup": 225
},
{
"id": "jvasp-69943",
"created_at": "2022-09-04T14:36:12.460905Z",
"updated_at": "2022-09-04T14:36:12.460931Z",
"structure_string": "Be2 Cu1 Pt1\n1.0\n2.850705 -0.000000 -0.000000\n-0.000000 2.850705 0.000000\n-0.000000 0.000000 5.419047\nBe Cu Pt\n2 1 1\ndirect\n0.000000 0.000000 0.014861 Be\n0.499999 0.499999 0.241308 Be\n0.000000 0.000000 0.448020 Cu\n0.499999 0.499999 0.795810 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Pt"
],
"chemical_system": "Be-Cu-Pt",
"density": 10.43179754910041,
"density_atomic": 0.09083067020365605,
"volume": 44.037988391271334,
"volume_molar": 6.6300741219870485,
"formula_full": "Be2 Cu1 Pt1",
"formula_reduced": "Be2CuPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3927035125,
"spacegroup": 99
},
{
"id": "jvasp-70492",
"created_at": "2022-09-04T14:36:08.422022Z",
"updated_at": "2022-09-04T14:36:08.422039Z",
"structure_string": "Be2 Cu1 Pt1\n1.0\n2.850756 -0.000000 0.000000\n-0.000000 2.850756 -0.000000\n0.000000 -0.000000 5.419035\nBe Cu Pt\n2 1 1\ndirect\n0.000000 0.000000 0.014859 Be\n0.500001 0.500001 0.241301 Be\n0.000000 0.000000 0.448022 Cu\n0.500001 0.500001 0.795818 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Pt"
],
"chemical_system": "Be-Cu-Pt",
"density": 10.431447402421709,
"density_atomic": 0.09082762144265907,
"volume": 44.039466590295596,
"volume_molar": 6.6302966700519335,
"formula_full": "Be2 Cu1 Pt1",
"formula_reduced": "Be2CuPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3926860125,
"spacegroup": 99
},
{
"id": "jvasp-80850",
"created_at": "2022-09-04T14:37:16.766240Z",
"updated_at": "2022-09-04T14:37:16.766260Z",
"structure_string": "Li1 Zr1 Hg2\n1.0\n-10.921822 4.178839 0.520390\n-7.632504 1.438691 2.768829\n-6.239899 5.377774 0.355322\nLi Zr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Zr\n0.756880 -0.004004 -0.003988 Hg\n0.243120 0.004005 0.003989 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Hg"
],
"chemical_system": "Hg-Li-Zr",
"density": 10.431229561585887,
"density_atomic": 0.05032058616103253,
"volume": 79.49033000528792,
"volume_molar": 11.967548908767384,
"formula_full": "Li1 Zr1 Hg2",
"formula_reduced": "LiZrHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.381453425,
"spacegroup": 139
},
{
"id": "jvasp-16287",
"created_at": "2022-09-04T14:37:56.063717Z",
"updated_at": "2022-09-04T14:37:56.063747Z",
"structure_string": "Th1 Se1\n1.0\n3.671932 0.000000 -0.000000\n-0.000000 3.671932 -0.000000\n0.000000 0.000000 3.671932\nTh Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Th",
"Se"
],
"chemical_system": "Se-Th",
"density": 10.430926554407826,
"density_atomic": 0.040396720152899836,
"volume": 49.508969847801666,
"volume_molar": 14.90749926530287,
"formula_full": "Th1 Se1",
"formula_reduced": "ThSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.8701494833333334,
"spacegroup": 221
},
{
"id": "jvasp-104606",
"created_at": "2022-09-04T14:36:56.277612Z",
"updated_at": "2022-09-04T14:36:56.277636Z",
"structure_string": "Pu1 Ga1 O3\n1.0\n3.861882 0.000000 0.000000\n0.000000 3.861882 0.000000\n0.000000 0.000000 3.861882\nPu Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"Ga",
"O"
],
"chemical_system": "Ga-O-Pu",
"density": 10.428601228853221,
"density_atomic": 0.0868106494059047,
"volume": 57.596620163745825,
"volume_molar": 6.937099078526632,
"formula_full": "Pu1 Ga1 O3",
"formula_reduced": "PuGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.633040565,
"spacegroup": 221
},
{
"id": "jvasp-54483",
"created_at": "2022-09-04T14:37:43.170588Z",
"updated_at": "2022-09-04T14:37:43.170602Z",
"structure_string": "Ta9 Fe2 S6\n1.0\n5.177074 -8.966957 0.000000\n5.177074 8.966957 -0.000000\n-0.000000 0.000000 3.314655\nTa Fe S\n9 2 6\ndirect\n0.201832 0.464794 0.500001 Ta\n0.535205 0.737038 0.500001 Ta\n0.457814 0.457814 0.000000 Ta\n0.798167 0.262961 0.500001 Ta\n0.542186 -0.000000 0.000000 Ta\n0.464794 0.201832 0.500001 Ta\n0.262961 0.798167 0.500001 Ta\n-0.000000 0.542186 0.000000 Ta\n0.737038 0.535205 0.500001 Ta\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666667 0.000000 Fe\n0.295084 -0.000000 0.000000 S\n0.704915 0.704915 0.000000 S\n0.273762 0.273762 0.500001 S\n-0.000000 0.726237 0.500001 S\n0.726237 -0.000000 0.500001 S\n-0.000000 0.295084 0.000000 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ta",
"density": 10.427873130317716,
"density_atomic": 0.05523967738308368,
"volume": 307.74980603355215,
"volume_molar": 10.901839122333815,
"formula_full": "Ta9 Fe2 S6",
"formula_reduced": "Ta9(FeS3)2",
"formula_anonymous": "A2B6C9",
"energy_above_hull": 5.753249047058824,
"spacegroup": 189
},
{
"id": "jvasp-74651",
"created_at": "2022-09-04T14:35:47.653155Z",
"updated_at": "2022-09-04T14:35:47.653179Z",
"structure_string": "Be2 Cd1 Ir1\n1.0\n-1.745851 1.745851 4.214240\n1.745851 -1.745851 4.214240\n1.745851 1.745851 -4.214240\nBe Cd Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Cd\n0.750000 0.250000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Ir"
],
"chemical_system": "Be-Cd-Ir",
"density": 10.427743516703,
"density_atomic": 0.07785139214224296,
"volume": 51.379941834457696,
"volume_molar": 7.735431049192922,
"formula_full": "Be2 Cd1 Ir1",
"formula_reduced": "Be2CdIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6055607624999997,
"spacegroup": 119
},
{
"id": "jvasp-102586",
"created_at": "2022-09-04T14:36:57.367739Z",
"updated_at": "2022-09-04T14:36:57.367760Z",
"structure_string": "Y1 Tm1 Tl2\n1.0\n4.602885 -0.000000 2.657477\n1.534295 4.339642 2.657477\n-0.000000 -0.000000 5.314954\nY Tm Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500001 Tm\n0.249999 0.250000 0.250000 Tl\n0.749998 0.750000 0.750001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tm",
"Tl"
],
"chemical_system": "Tl-Tm-Y",
"density": 10.42641981125411,
"density_atomic": 0.037677011956600344,
"volume": 106.16553150784748,
"volume_molar": 15.983594365011813,
"formula_full": "Y1 Tm1 Tl2",
"formula_reduced": "YTmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6522637249999998,
"spacegroup": 225
},
{
"id": "jvasp-106262",
"created_at": "2022-09-04T14:37:47.705182Z",
"updated_at": "2022-09-04T14:37:47.705215Z",
"structure_string": "Li1 Lu1 Tl2\n1.0\n4.421047 0.000000 2.552493\n1.473682 4.168203 2.552493\n0.000000 0.000000 5.104986\nLi Lu Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Tl\n0.750000 0.749999 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Lu",
"Tl"
],
"chemical_system": "Li-Lu-Tl",
"density": 10.426267044873352,
"density_atomic": 0.04251982243169075,
"volume": 94.07377009690265,
"volume_molar": 14.163137133685666,
"formula_full": "Li1 Lu1 Tl2",
"formula_reduced": "LiLuTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1115552375,
"spacegroup": 225
}
]
}