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=1269",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1267",
"results": [
{
"id": "jvasp-100495",
"created_at": "2022-09-04T14:36:37.356712Z",
"updated_at": "2022-09-04T14:36:37.356727Z",
"structure_string": "Mg2 Bi6\n1.0\n7.028974 -0.000000 -0.000000\n-3.514487 6.087270 0.000000\n-0.000000 0.000000 5.597793\nMg Bi\n2 6\ndirect\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.174179 0.348357 0.250000 Bi\n0.174178 0.825821 0.250000 Bi\n0.651643 0.825821 0.250000 Bi\n0.348356 0.174179 0.750000 Bi\n0.825821 0.174179 0.750000 Bi\n0.825820 0.651643 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 9.030108291294011,
"density_atomic": 0.03340093698942636,
"volume": 239.5142388530159,
"volume_molar": 18.029855754964032,
"formula_full": "Mg2 Bi6",
"formula_reduced": "MgBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6819341428571429,
"spacegroup": 194
},
{
"id": "jvasp-26348",
"created_at": "2022-09-04T14:37:41.760807Z",
"updated_at": "2022-09-04T14:37:41.760837Z",
"structure_string": "Sr2 Bi2 Cl2 O4\n1.0\n5.662214 0.000005 0.000029\n-0.000008 5.227719 -2.406063\n0.000035 -0.017206 6.844751\nSr Bi Cl O\n2 2 2 4\ndirect\n0.249998 0.609980 0.219951 Sr\n0.750002 0.390021 0.780049 Sr\n0.750001 0.083830 0.167655 Bi\n0.250000 0.916171 0.832345 Bi\n0.750000 0.744804 0.489594 Cl\n0.250000 0.255196 0.510406 Cl\n0.500001 0.236275 0.000006 O\n-0.000001 0.236272 0.000001 O\n0.000001 0.763728 -0.000001 O\n0.499998 0.763726 -0.000004 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Sr",
"density": 5.974331753439351,
"density_atomic": 0.049413609886964985,
"volume": 202.37339516127804,
"volume_molar": 12.187210717403193,
"formula_full": "Sr2 Bi2 Cl2 O4",
"formula_reduced": "SrBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6819543355,
"spacegroup": 63
},
{
"id": "jvasp-31802",
"created_at": "2022-09-04T14:37:06.594404Z",
"updated_at": "2022-09-04T14:37:06.594428Z",
"structure_string": "Re1 F6\n1.0\n-3.164074 -3.164074 3.164074\n-3.164074 3.164074 -3.164074\n3.164074 -3.164074 -3.164074\nRe F\n1 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.704960 0.704960 0.000000 F\n0.295038 0.295038 0.000000 F\n0.704960 0.000000 0.704960 F\n0.295038 0.000000 0.295038 F\n0.000000 0.704960 0.704960 F\n0.000000 0.295038 0.295038 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Re",
"F"
],
"chemical_system": "F-Re",
"density": 3.9341975565275216,
"density_atomic": 0.05524565825405017,
"volume": 126.70678965956236,
"volume_molar": 10.90065889396567,
"formula_full": "Re1 F6",
"formula_reduced": "ReF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.6819656707142856,
"spacegroup": 229
},
{
"id": "jvasp-16302",
"created_at": "2022-09-04T14:38:10.535206Z",
"updated_at": "2022-09-04T14:38:10.535232Z",
"structure_string": "Au2 Se2\n1.0\n2.072073 -3.588934 0.000000\n2.072073 3.588934 0.000000\n0.000000 -0.000000 5.801239\nAu Se\n2 2\ndirect\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.666666 0.333333 0.750000 Se\n0.333333 0.666666 0.250000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Se"
],
"chemical_system": "Au-Se",
"density": 10.620655862456752,
"density_atomic": 0.04635949689160718,
"volume": 86.28221331548038,
"volume_molar": 12.990090841754228,
"formula_full": "Au2 Se2",
"formula_reduced": "AuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6819804683333333,
"spacegroup": 194
},
{
"id": "jvasp-4705",
"created_at": "2022-09-04T14:38:06.258049Z",
"updated_at": "2022-09-04T14:38:06.258075Z",
"structure_string": "Au2 Se2\n1.0\n2.072073 -3.588934 0.000000\n2.072073 3.588934 0.000000\n0.000000 0.000000 5.801239\nAu Se\n2 2\ndirect\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.666666 0.333333 0.750000 Se\n0.333333 0.666666 0.250000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Se"
],
"chemical_system": "Au-Se",
"density": 10.620655862456752,
"density_atomic": 0.04635949689160718,
"volume": 86.28221331548038,
"volume_molar": 12.990090841754228,
"formula_full": "Au2 Se2",
"formula_reduced": "AuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6819804683333333,
"spacegroup": 194
},
{
"id": "jvasp-115522",
"created_at": "2022-09-04T14:38:44.144543Z",
"updated_at": "2022-09-04T14:38:44.144570Z",
"structure_string": "Ba1 Be1 Te1\n1.0\n6.693926 -0.905765 0.000000\n-0.736049 4.090804 0.000000\n0.000000 0.000000 4.482548\nBa Be Te\n1 1 1\ndirect\n0.449766 0.076740 0.000000 Ba\n0.073580 0.388696 0.000000 Be\n-0.113547 -0.204808 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Te"
],
"chemical_system": "Ba-Be-Te",
"density": 3.7983328657256252,
"density_atomic": 0.025050189985569897,
"volume": 119.75957075487823,
"volume_molar": 24.040299748101873,
"formula_full": "Ba1 Be1 Te1",
"formula_reduced": "BaBeTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6820466122222222,
"spacegroup": 38
},
{
"id": "jvasp-17316",
"created_at": "2022-09-04T14:38:32.707847Z",
"updated_at": "2022-09-04T14:38:32.707857Z",
"structure_string": "Li4 Cu2 As2\n1.0\n2.101455 -3.639826 0.000000\n2.101455 3.639826 -0.000000\n0.000000 0.000000 7.870864\nLi Cu As\n4 2 2\ndirect\n0.666666 0.333332 0.415239 Li\n0.333332 0.666666 0.915239 Li\n0.666666 0.333332 0.084761 Li\n0.333332 0.666666 0.584761 Li\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.333332 0.666666 0.250000 As\n0.666666 0.333332 0.750000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cu",
"As"
],
"chemical_system": "As-Cu-Li",
"density": 4.202108771778124,
"density_atomic": 0.06644110787615769,
"volume": 120.40738415908912,
"volume_molar": 9.063877699367861,
"formula_full": "Li4 Cu2 As2",
"formula_reduced": "Li2CuAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6821505500000001,
"spacegroup": 194
},
{
"id": "jvasp-38873",
"created_at": "2022-09-04T14:37:55.821028Z",
"updated_at": "2022-09-04T14:37:55.821046Z",
"structure_string": "Nd1 Bi1 Au2\n1.0\n0.000000 3.653939 3.653939\n3.653939 -0.000000 3.653939\n3.653939 3.653939 -0.000000\nNd Bi Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Nd",
"density": 12.715874798090834,
"density_atomic": 0.040996437315895466,
"volume": 97.56945388152273,
"volume_molar": 14.689424628771457,
"formula_full": "Nd1 Bi1 Au2",
"formula_reduced": "NdBiAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6823477350000001,
"spacegroup": 225
},
{
"id": "jvasp-69024",
"created_at": "2022-09-04T14:36:13.416601Z",
"updated_at": "2022-09-04T14:36:13.416621Z",
"structure_string": "Ba2 Y1 Sn1\n1.0\n0.000000 4.255200 4.255200\n4.255200 -0.000000 4.255200\n4.255200 4.255200 -0.000000\nBa Y Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Sn"
],
"chemical_system": "Ba-Sn-Y",
"density": 5.196958896080566,
"density_atomic": 0.02595793040510154,
"volume": 154.09548980121605,
"volume_molar": 23.199618251601684,
"formula_full": "Ba2 Y1 Sn1",
"formula_reduced": "Ba2YSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6824447725,
"spacegroup": 225
},
{
"id": "jvasp-96966",
"created_at": "2022-09-04T14:36:35.218829Z",
"updated_at": "2022-09-04T14:36:35.218848Z",
"structure_string": "K6 Na2 Sn6 Se16\n1.0\n8.142403 0.000000 0.000000\n-0.000000 8.142403 0.000000\n0.000000 0.000000 13.823130\nK Na Sn Se\n6 2 6 16\ndirect\n0.250000 0.250000 0.725471 K\n0.750000 0.750000 0.725471 K\n0.750000 0.750000 0.274529 K\n0.250000 0.250000 0.274529 K\n0.750000 0.750000 0.000000 K\n0.250000 0.250000 0.000000 K\n0.250000 0.750000 0.000000 Na\n0.750000 0.250000 0.000000 Na\n0.250000 0.750000 0.500000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.243522 Sn\n0.250000 0.750000 0.756478 Sn\n0.750000 0.250000 0.243522 Sn\n0.750000 0.250000 0.756478 Sn\n0.434591 0.565408 0.143751 Se\n0.417826 0.917826 0.376117 Se\n0.917826 0.417826 0.623883 Se\n0.917826 0.082173 0.376117 Se\n0.065409 0.565408 0.856249 Se\n0.082173 0.917826 0.623883 Se\n0.565408 0.065409 0.143751 Se\n0.582173 0.082173 0.623883 Se\n0.934591 0.434591 0.143751 Se\n0.934591 0.065409 0.856249 Se\n0.582173 0.417826 0.376117 Se\n0.082173 0.582173 0.376117 Se\n0.434591 0.934591 0.856249 Se\n0.417826 0.582173 0.623883 Se\n0.065409 0.934591 0.143751 Se\n0.565408 0.434591 0.856249 Se\n",
"nsites": 30,
"nelements": 4,
"elements": [
"K",
"Na",
"Sn",
"Se"
],
"chemical_system": "K-Na-Se-Sn",
"density": 4.088020459623391,
"density_atomic": 0.03273479874942456,
"volume": 916.4559168254355,
"volume_molar": 18.396755104858748,
"formula_full": "K6 Na2 Sn6 Se16",
"formula_reduced": "K3NaSn3Se8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 0.6824490022222223,
"spacegroup": 125
},
{
"id": "jvasp-50348",
"created_at": "2022-09-04T14:36:14.425781Z",
"updated_at": "2022-09-04T14:36:14.425807Z",
"structure_string": "Na1 Sm1 O2\n1.0\n0.950035 -3.387800 0.000000\n4.952673 3.215978 -0.104406\n0.000000 -1.827108 3.006897\nNa Sm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sm\n0.760588 0.281765 0.760588 O\n0.239412 0.718236 0.239412 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sm",
"O"
],
"chemical_system": "Na-O-Sm",
"density": 5.735015490343357,
"density_atomic": 0.06727501569971178,
"volume": 59.457436886441876,
"volume_molar": 8.951526353974227,
"formula_full": "Na1 Sm1 O2",
"formula_reduced": "NaSmO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6824737187500001,
"spacegroup": 166
},
{
"id": "jvasp-101036",
"created_at": "2022-09-04T14:36:48.137912Z",
"updated_at": "2022-09-04T14:36:48.137925Z",
"structure_string": "Yb1 Zn1 O3\n1.0\n3.805613 -0.000000 0.000000\n0.000000 3.805613 0.000000\n-0.000000 -0.000000 3.805613\nYb Zn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Zn\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": [
"Yb",
"Zn",
"O"
],
"chemical_system": "O-Yb-Zn",
"density": 8.630179186582243,
"density_atomic": 0.09071855801624353,
"volume": 55.11551450260849,
"volume_molar": 6.638267727890595,
"formula_full": "Yb1 Zn1 O3",
"formula_reduced": "YbZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.6825123199999998,
"spacegroup": 221
}
]
}