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=-energy_above_hull&page=3621",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3619",
"results": [
{
"id": "jvasp-109980",
"created_at": "2022-09-04T14:38:18.754400Z",
"updated_at": "2022-09-04T14:38:18.754427Z",
"structure_string": "La1 Pm1 Tl2\n1.0\n4.800022 -0.000000 2.771294\n1.600007 4.525504 2.771294\n-0.000000 -0.000000 5.542588\nLa Pm Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pm\n0.750000 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pm",
"Tl"
],
"chemical_system": "La-Pm-Tl",
"density": 9.553312750421425,
"density_atomic": 0.03322287507693052,
"volume": 120.39897181498122,
"volume_molar": 18.12648889072724,
"formula_full": "La1 Pm1 Tl2",
"formula_reduced": "LaPmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4338953437499999,
"spacegroup": 225
},
{
"id": "jvasp-91922",
"created_at": "2022-09-04T14:36:18.016701Z",
"updated_at": "2022-09-04T14:36:18.016737Z",
"structure_string": "Ca4 Zn4\n1.0\n6.113255 -0.000000 0.000000\n0.000000 6.113255 -0.000000\n-0.000000 0.000000 6.113255\nCa Zn\n4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.0668355931580127,
"density_atomic": 0.0350164771699984,
"volume": 228.46387319779504,
"volume_molar": 17.198020037148915,
"formula_full": "Ca4 Zn4",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.4338736363636364,
"spacegroup": 225
},
{
"id": "jvasp-117659",
"created_at": "2022-09-04T14:38:46.800157Z",
"updated_at": "2022-09-04T14:38:46.800184Z",
"structure_string": "Ca1 Ag1 O1\n1.0\n3.638389 -0.000000 -0.000000\n0.000000 3.638389 0.000000\n-0.000000 0.000000 6.832845\nCa Ag O\n1 1 1\ndirect\n0.000000 0.000000 0.408661 Ca\n0.000000 0.000000 -0.015853 Ag\n0.000000 0.000000 0.686569 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O",
"density": 3.009740372372382,
"density_atomic": 0.033166636091017276,
"volume": 90.45234469263853,
"volume_molar": 18.157225060370273,
"formula_full": "Ca1 Ag1 O1",
"formula_reduced": "CaAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4337437266666669,
"spacegroup": 99
},
{
"id": "jvasp-117706",
"created_at": "2022-09-04T14:38:26.535190Z",
"updated_at": "2022-09-04T14:38:26.535218Z",
"structure_string": "Zr1 Ag1 F2\n1.0\n3.129768 0.000000 0.000000\n0.000000 3.129768 -0.000000\n0.000000 -0.000000 5.985574\nZr Ag F\n1 1 2\ndirect\n0.500000 0.500000 0.526559 Zr\n0.000000 0.000000 0.886925 Ag\n0.000000 0.000000 0.404856 F\n0.500000 0.500000 0.191659 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zr",
"density": 6.714758815048198,
"density_atomic": 0.06822285584920364,
"volume": 58.631377273935854,
"volume_molar": 8.82716017240767,
"formula_full": "Zr1 Ag1 F2",
"formula_reduced": "ZrAgF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.43368058125,
"spacegroup": 99
},
{
"id": "jvasp-47083",
"created_at": "2022-09-04T14:38:02.280092Z",
"updated_at": "2022-09-04T14:38:02.280112Z",
"structure_string": "Li2 V2 F6\n1.0\n0.000000 3.208042 0.001107\n5.490986 0.000000 0.000000\n0.000000 -1.601449 -6.366841\nLi V F\n2 2 6\ndirect\n0.938086 0.750001 0.875646 Li\n0.061912 0.250000 0.124354 Li\n0.668540 0.750001 0.336986 V\n0.331459 0.250000 0.663014 V\n0.835379 0.000165 0.670851 F\n0.835379 0.499835 0.670851 F\n0.509704 0.750001 0.018897 F\n0.490295 0.250000 0.981102 F\n0.164620 0.500166 0.329148 F\n0.164620 -0.000165 0.329148 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.402030254215825,
"density_atomic": 0.08917093289500232,
"volume": 112.14416711076555,
"volume_molar": 6.753479597539927,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4336170095,
"spacegroup": 63
},
{
"id": "jvasp-18949",
"created_at": "2022-09-04T14:36:08.621275Z",
"updated_at": "2022-09-04T14:36:08.621295Z",
"structure_string": "Tb1 Cd1\n1.0\n3.729078 0.000000 -0.000000\n0.000000 3.729078 0.000000\n0.000000 0.000000 3.729078\nTb Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Cd"
],
"chemical_system": "Cd-Tb",
"density": 8.688657413193955,
"density_atomic": 0.03856786455316705,
"volume": 51.85664343025618,
"volume_molar": 15.614400303906598,
"formula_full": "Tb1 Cd1",
"formula_reduced": "TbCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.4336111333333333,
"spacegroup": 221
},
{
"id": "jvasp-109784",
"created_at": "2022-09-04T14:38:04.594453Z",
"updated_at": "2022-09-04T14:38:04.594479Z",
"structure_string": "Ca3 Pb1 Se4\n1.0\n4.239035 -0.000000 0.000000\n0.000000 6.011399 0.000000\n-0.000000 -0.000000 8.517010\nCa Pb Se\n3 1 4\ndirect\n0.499999 0.000000 0.252343 Ca\n-0.000000 0.500000 0.500000 Ca\n0.499999 0.000000 0.747657 Ca\n-0.000000 0.500000 -0.000000 Pb\n0.000000 0.000000 0.500000 Se\n0.499999 0.500000 0.738580 Se\n0.000000 0.000000 0.000000 Se\n0.499999 0.500000 0.261420 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"Se"
],
"chemical_system": "Ca-Pb-Se",
"density": 4.921702760316521,
"density_atomic": 0.0368604194315322,
"volume": 217.03496930792954,
"volume_molar": 16.337689187682894,
"formula_full": "Ca3 Pb1 Se4",
"formula_reduced": "Ca3PbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4336056933333334,
"spacegroup": 47
},
{
"id": "jvasp-35623",
"created_at": "2022-09-04T14:37:40.706740Z",
"updated_at": "2022-09-04T14:37:40.706756Z",
"structure_string": "Ga4 Pt4\n1.0\n4.972623 0.000000 -0.000000\n-0.000000 4.972623 0.000000\n0.000000 0.000000 4.972623\nGa Pt\n4 4\ndirect\n0.092447 0.092447 0.092447 Ga\n0.407552 0.907552 0.592447 Ga\n0.907552 0.592447 0.407552 Ga\n0.592447 0.407552 0.907552 Ga\n0.400370 0.400370 0.400370 Pt\n0.099630 0.599630 0.900369 Pt\n0.599630 0.900369 0.099630 Pt\n0.900369 0.099630 0.599630 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt",
"density": 14.304805159780582,
"density_atomic": 0.06506289504910595,
"volume": 122.95794698286993,
"volume_molar": 9.255875803643251,
"formula_full": "Ga4 Pt4",
"formula_reduced": "GaPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.4335668625000002,
"spacegroup": 198
},
{
"id": "jvasp-77136",
"created_at": "2022-09-04T14:37:15.385925Z",
"updated_at": "2022-09-04T14:37:15.385952Z",
"structure_string": "Li2 Sn1 Pb1\n1.0\n-11.550676 3.379639 -1.149858\n-8.324424 0.957572 1.693861\n-6.899448 4.988012 -0.774269\nLi Sn Pb\n2 1 1\ndirect\n0.750392 0.999746 0.999746 Li\n0.249611 0.000252 0.000252 Li\n0.000000 0.000000 0.000000 Sn\n0.500001 -0.000000 -0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Pb"
],
"chemical_system": "Li-Pb-Sn",
"density": 6.636239100246775,
"density_atomic": 0.04704568205550769,
"volume": 85.02374341773871,
"volume_molar": 12.800623770093651,
"formula_full": "Li2 Sn1 Pb1",
"formula_reduced": "Li2SnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.43356563,
"spacegroup": 225
},
{
"id": "jvasp-65076",
"created_at": "2022-09-04T14:36:03.603710Z",
"updated_at": "2022-09-04T14:36:03.603739Z",
"structure_string": "Be1 Cu1 Br1\n1.0\n1.641481 -2.843129 -0.000000\n1.641481 2.843129 -0.000000\n0.000000 -0.000000 5.487009\nBe Cu Br\n1 1 1\ndirect\n0.000000 0.000000 0.000707 Be\n0.666667 0.333332 0.739749 Cu\n0.333332 0.666667 0.259545 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Br"
],
"chemical_system": "Be-Br-Cu",
"density": 4.943256372467853,
"density_atomic": 0.05857646527331466,
"volume": 51.21510808141393,
"volume_molar": 10.280819663496274,
"formula_full": "Be1 Cu1 Br1",
"formula_reduced": "BeCuBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4334968849999998,
"spacegroup": 156
},
{
"id": "jvasp-117631",
"created_at": "2022-09-04T14:38:53.476135Z",
"updated_at": "2022-09-04T14:38:53.476161Z",
"structure_string": "Ca1 Be1 Br1\n1.0\n3.717692 -0.000000 -0.000000\n0.000000 3.717692 -0.000000\n-0.000000 0.000000 7.806199\nCa Be Br\n1 1 1\ndirect\n0.000000 0.000000 0.018708 Ca\n0.000000 0.000000 0.383294 Be\n0.000000 0.000000 0.649245 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ca",
"density": 1.9853303793134423,
"density_atomic": 0.02780576337185841,
"volume": 107.89130152190796,
"volume_molar": 21.657886818151066,
"formula_full": "Ca1 Be1 Br1",
"formula_reduced": "CaBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4334668749999999,
"spacegroup": 99
},
{
"id": "jvasp-39915",
"created_at": "2022-09-04T14:37:44.833343Z",
"updated_at": "2022-09-04T14:37:44.833361Z",
"structure_string": "Yb1 Tl1 Pd2\n1.0\n-0.000000 3.380141 3.380141\n3.380141 0.000000 3.380141\n3.380141 3.380141 0.000000\nYb Tl Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Pd"
],
"chemical_system": "Pd-Tl-Yb",
"density": 12.689965242326993,
"density_atomic": 0.05178757138057545,
"volume": 77.23860944559229,
"volume_molar": 11.62854445470056,
"formula_full": "Yb1 Tl1 Pd2",
"formula_reduced": "YbTlPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4331289250000001,
"spacegroup": 225
}
]
}