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=27",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=25",
"results": [
{
"id": "jvasp-86436",
"created_at": "2022-09-04T14:35:41.216418Z",
"updated_at": "2022-09-04T14:35:41.216451Z",
"structure_string": "Li1 Sb1 F6\n1.0\n4.509030 0.056403 3.028820\n1.643489 4.199223 3.028820\n0.081545 0.056403 5.431247\nLi Sb F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sb\n0.623259 0.891282 0.243011 F\n0.891283 0.243009 0.623259 F\n0.756990 0.376741 0.108717 F\n0.243010 0.623257 0.891285 F\n0.108717 0.756989 0.376742 F\n0.376741 0.108716 0.756991 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sb",
"F"
],
"chemical_system": "F-Li-Sb",
"density": 3.9971566651595967,
"density_atomic": 0.07934830218564845,
"volume": 100.82131286543068,
"volume_molar": 7.5895017210452815,
"formula_full": "Li1 Sb1 F6",
"formula_reduced": "LiSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-3492",
"created_at": "2022-09-04T14:35:42.829074Z",
"updated_at": "2022-09-04T14:35:42.829097Z",
"structure_string": "Rb2 In2 Te4\n1.0\n7.038350 0.024812 -1.902169\n-4.120449 5.706216 -1.902169\n-0.012633 -0.024812 7.290848\nRb In Te\n2 2 4\ndirect\n0.750000 0.750000 -0.000000 Rb\n0.250000 0.250000 -0.000000 Rb\n0.750000 0.250000 0.500000 In\n0.250000 0.750001 0.500000 In\n0.326679 0.173322 0.500000 Te\n0.173322 0.673322 0.846644 Te\n0.826679 0.326679 0.153356 Te\n0.673322 0.826679 0.500000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"In",
"Te"
],
"chemical_system": "In-Rb-Te",
"density": 5.164578853076978,
"density_atomic": 0.02731309808568965,
"volume": 292.8997646074979,
"volume_molar": 22.048545137965228,
"formula_full": "Rb2 In2 Te4",
"formula_reduced": "RbInTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-97801",
"created_at": "2022-09-04T14:35:46.104116Z",
"updated_at": "2022-09-04T14:35:46.104138Z",
"structure_string": "Yb4 In2 Cu4\n1.0\n3.717943 -0.000000 0.000000\n0.000000 7.429306 0.000000\n-0.000000 -0.000000 7.429306\nYb In Cu\n4 2 4\ndirect\n0.500000 0.177105 0.677106 Yb\n0.500000 0.322895 0.177105 Yb\n0.500000 0.677106 0.822895 Yb\n0.500000 0.822895 0.322895 Yb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.381983 0.881984 Cu\n0.000000 0.118017 0.381983 Cu\n0.000000 0.881984 0.618017 Cu\n0.000000 0.618017 0.118017 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"In",
"Cu"
],
"chemical_system": "Cu-In-Yb",
"density": 9.515898757665687,
"density_atomic": 0.04873049014130823,
"volume": 205.2103307601071,
"volume_molar": 12.358054972435228,
"formula_full": "Yb4 In2 Cu4",
"formula_reduced": "Yb2InCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-91553",
"created_at": "2022-09-04T14:35:44.874969Z",
"updated_at": "2022-09-04T14:35:44.874999Z",
"structure_string": "Ba2 Ag2 Se2 F2\n1.0\n4.382185 0.000000 -0.000000\n0.000000 4.382185 0.000000\n-0.000000 -0.000000 9.428448\nBa Ag Se F\n2 2 2 2\ndirect\n0.750001 0.750001 0.838559 Ba\n0.250000 0.250000 0.161441 Ba\n0.250000 0.750001 0.500000 Ag\n0.750001 0.250000 0.500000 Ag\n0.750001 0.750001 0.316788 Se\n0.250000 0.250000 0.683212 Se\n0.250000 0.750001 0.000000 F\n0.750001 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Se",
"F"
],
"chemical_system": "Ag-Ba-F-Se",
"density": 6.294279593735903,
"density_atomic": 0.04418433885688238,
"volume": 181.0596289765209,
"volume_molar": 13.629582145624797,
"formula_full": "Ba2 Ag2 Se2 F2",
"formula_reduced": "BaAgSeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-66405",
"created_at": "2022-09-04T14:35:43.828768Z",
"updated_at": "2022-09-04T14:35:43.828798Z",
"structure_string": "Ba1 Hg1 Sb1\n1.0\n-0.000000 3.957095 3.957095\n3.957095 0.000000 3.957095\n3.957095 3.957095 -0.000000\nBa Hg Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Sb"
],
"chemical_system": "Ba-Hg-Sb",
"density": 6.159457258838491,
"density_atomic": 0.024208162664706566,
"volume": 123.92514217420324,
"volume_molar": 24.876488329202143,
"formula_full": "Ba1 Hg1 Sb1",
"formula_reduced": "BaHgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-98874",
"created_at": "2022-09-04T14:35:43.397120Z",
"updated_at": "2022-09-04T14:35:43.397149Z",
"structure_string": "K2 Yb6 F20\n1.0\n6.894882 -0.003323 3.980311\n2.257969 6.642314 4.046240\n-0.082992 0.022807 8.099068\nYb K F\n6 2 20\ndirect\n0.770058 0.773711 0.231217 Yb\n0.770049 0.231093 0.773793 Yb\n0.768465 0.226302 0.226297 Yb\n0.229937 0.226291 0.768778 Yb\n0.231530 0.773707 0.773701 Yb\n0.229950 0.768902 0.226213 Yb\n0.770329 0.735794 0.735875 K\n0.229670 0.264207 0.264126 K\n0.812741 0.163624 0.512577 F\n0.493057 0.493335 0.131616 F\n0.499915 0.681175 0.318960 F\n0.812781 0.512356 0.163998 F\n0.869249 0.500752 0.500824 F\n0.641126 0.109351 0.109452 F\n0.107757 0.667712 0.107829 F\n0.500076 0.318828 0.681047 F\n0.871485 0.885699 0.885800 F\n0.128517 0.114303 0.114199 F\n0.507158 0.868212 0.506897 F\n0.892268 0.892178 0.332303 F\n0.107733 0.107821 0.667700 F\n0.358879 0.890650 0.890542 F\n0.506949 0.506663 0.868382 F\n0.130750 0.499249 0.499179 F\n0.187223 0.487635 0.836006 F\n0.187262 0.836382 0.487416 F\n0.892243 0.332289 0.892169 F\n0.492843 0.131786 0.493104 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"K",
"F"
],
"chemical_system": "F-K-Yb",
"density": 6.666310960684584,
"density_atomic": 0.07511824776919504,
"volume": 372.745648780727,
"volume_molar": 8.016881302268072,
"formula_full": "K2 Yb6 F20",
"formula_reduced": "KYb3F10",
"formula_anonymous": "AB3C10",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-3096",
"created_at": "2022-09-04T14:35:44.345948Z",
"updated_at": "2022-09-04T14:35:44.345984Z",
"structure_string": "Tl2 Sn1 F6\n1.0\n3.048547 -5.280239 0.000000\n3.048547 5.280239 0.000000\n0.000000 0.000000 4.796120\nTl Sn F\n2 1 6\ndirect\n0.666668 0.333333 0.696724 Tl\n0.333333 0.666668 0.303276 Tl\n0.000000 0.000000 0.000000 Sn\n0.841185 0.158816 0.230415 F\n0.317630 0.158815 0.230415 F\n0.841186 0.682371 0.230415 F\n0.158816 0.841185 0.769585 F\n0.682371 0.841186 0.769585 F\n0.158815 0.317630 0.769585 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 6.89853572645395,
"density_atomic": 0.05828757638060049,
"volume": 154.406831761758,
"volume_molar": 10.331774168610504,
"formula_full": "Tl2 Sn1 F6",
"formula_reduced": "Tl2SnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-65530",
"created_at": "2022-09-04T14:35:42.318327Z",
"updated_at": "2022-09-04T14:35:42.318358Z",
"structure_string": "K1 Ba1 Cd2\n1.0\n4.202187 -0.000000 0.000000\n0.000000 4.202187 -0.000000\n-0.000000 -0.000000 8.555293\nK Ba Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.736642 Cd\n0.000000 0.000000 0.263358 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd-K",
"density": 4.410375662987993,
"density_atomic": 0.026477340090433555,
"volume": 151.07257701634566,
"volume_molar": 22.744508094209362,
"formula_full": "K1 Ba1 Cd2",
"formula_reduced": "KBaCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-66568",
"created_at": "2022-09-04T14:35:44.400768Z",
"updated_at": "2022-09-04T14:35:44.400795Z",
"structure_string": "Ba1 Tl1 In1\n1.0\n0.000000 3.964234 3.964234\n3.964234 -0.000000 3.964234\n3.964234 3.964234 -0.000000\nBa Tl In\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"In"
],
"chemical_system": "Ba-In-Tl",
"density": 6.0842767500030615,
"density_atomic": 0.02407761207178782,
"volume": 124.5970734579263,
"volume_molar": 25.011370488256407,
"formula_full": "Ba1 Tl1 In1",
"formula_reduced": "BaTlIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-94825",
"created_at": "2022-09-04T14:35:42.294901Z",
"updated_at": "2022-09-04T14:35:42.294918Z",
"structure_string": "Ca1 Rh1 F6\n1.0\n4.662173 0.038934 3.383584\n1.746345 4.322922 3.383583\n0.057202 0.038935 5.760315\nCa Rh F\n1 1 6\ndirect\n0.500000 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Rh\n0.384118 0.066403 0.779716 F\n0.066405 0.779716 0.384117 F\n0.220284 0.615880 0.933595 F\n0.933596 0.220282 0.615881 F\n0.615883 0.933595 0.220282 F\n0.779717 0.384117 0.066403 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Rh",
"F"
],
"chemical_system": "Ca-F-Rh",
"density": 3.727107288668332,
"density_atomic": 0.06987530811722693,
"volume": 114.48965615405557,
"volume_molar": 8.618410311546537,
"formula_full": "Ca1 Rh1 F6",
"formula_reduced": "CaRhF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-92891",
"created_at": "2022-09-04T14:35:43.178587Z",
"updated_at": "2022-09-04T14:35:43.178613Z",
"structure_string": "Mg6 Cr1 Ga1\n1.0\n6.193614 0.009195 0.000000\n-3.088844 5.368424 0.000000\n0.000000 0.000000 4.890712\nMg Cr Ga\n6 1 1\ndirect\n0.169544 0.839121 0.250000 Mg\n0.660878 0.330455 0.250000 Mg\n0.665986 0.834012 0.250000 Mg\n0.330556 0.655865 0.750000 Mg\n0.844134 0.169443 0.750000 Mg\n0.832553 0.667445 0.750000 Mg\n0.171785 0.328215 0.250000 Cr\n0.324561 0.175438 0.750000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ga"
],
"chemical_system": "Cr-Ga-Mg",
"density": 2.729724037872506,
"density_atomic": 0.049153691483782805,
"volume": 162.75481573219025,
"volume_molar": 12.251655121338901,
"formula_full": "Mg6 Cr1 Ga1",
"formula_reduced": "Mg6CrGa",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-65113",
"created_at": "2022-09-04T14:36:02.022627Z",
"updated_at": "2022-09-04T14:36:02.022652Z",
"structure_string": "Be1 Cd4 Rh1\n1.0\n0.000000 3.863659 3.863659\n3.863659 0.000000 3.863659\n3.863659 3.863659 -0.000000\nBe Cd Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125431 0.624856 0.624856 Cd\n0.624856 0.624856 0.624856 Cd\n0.624856 0.125431 0.624856 Cd\n0.624856 0.624856 0.125431 Cd\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Rh"
],
"chemical_system": "Be-Cd-Rh",
"density": 8.083886363835019,
"density_atomic": 0.052014554925792766,
"volume": 115.35232798896342,
"volume_molar": 11.577799269053756,
"formula_full": "Be1 Cd4 Rh1",
"formula_reduced": "BeCd4Rh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}