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=-formula_anonymous&page=682",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=680",
"results": [
{
"id": "jvasp-62697",
"created_at": "2022-09-04T14:36:15.595164Z",
"updated_at": "2022-09-04T14:36:15.595186Z",
"structure_string": "Pr1 B1 Rh3\n1.0\n4.270651 0.000000 0.000000\n-0.000000 4.270651 0.000000\n-0.000000 -0.000000 4.270651\nPr B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"B",
"Rh"
],
"chemical_system": "B-Pr-Rh",
"density": 9.816017451284036,
"density_atomic": 0.06419301264757617,
"volume": 77.8900972828667,
"volume_molar": 9.381302592950336,
"formula_full": "Pr1 B1 Rh3",
"formula_reduced": "PrBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.028174286666667,
"spacegroup": 221
},
{
"id": "jvasp-92544",
"created_at": "2022-09-04T14:36:31.628067Z",
"updated_at": "2022-09-04T14:36:31.628084Z",
"structure_string": "Sr1 Tc1 O3\n1.0\n-2.797001 -2.797001 -0.000000\n-2.797001 2.797001 0.000000\n0.000000 0.000000 -3.956156\nSr Tc O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Tc",
"O"
],
"chemical_system": "O-Sr-Tc",
"density": 6.2671072004437125,
"density_atomic": 0.08077581655051745,
"volume": 61.89971471068923,
"volume_molar": 7.455375899832266,
"formula_full": "Sr1 Tc1 O3",
"formula_reduced": "SrTcO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.115451662,
"spacegroup": 221
},
{
"id": "jvasp-50671",
"created_at": "2022-09-04T14:36:31.629094Z",
"updated_at": "2022-09-04T14:36:31.629112Z",
"structure_string": "Li2 Cu2 F6\n1.0\n2.538184 1.327391 -4.191080\n2.538184 4.864615 0.003548\n2.538184 -1.327391 4.191080\nLi Cu F\n2 2 6\ndirect\n0.386516 0.420225 0.193258 Li\n0.386515 0.920225 0.693257 Li\n0.978116 0.532825 0.489057 Cu\n0.978115 0.032825 0.989057 Cu\n0.162022 0.251786 0.270004 F\n0.162022 0.751786 0.392018 F\n0.478208 0.751785 0.086190 F\n0.478208 0.251786 0.892018 F\n0.856194 0.251786 0.586189 F\n0.856194 0.751786 0.770003 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 4.089788437121433,
"density_atomic": 0.09659889694709618,
"volume": 103.52085081754761,
"volume_molar": 6.2341713521823285,
"formula_full": "Li2 Cu2 F6",
"formula_reduced": "LiCuF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 161
},
{
"id": "jvasp-92634",
"created_at": "2022-09-04T14:36:31.869474Z",
"updated_at": "2022-09-04T14:36:31.869493Z",
"structure_string": "Zr1 Pb1 O3\n1.0\n4.180250 -0.000000 -0.000000\n-0.000000 4.180250 -0.000000\n-0.000000 0.000000 4.180250\nZr Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Pb\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Zr",
"density": 7.874954373711371,
"density_atomic": 0.06844839004754354,
"volume": 73.04773708376563,
"volume_molar": 8.79807509835817,
"formula_full": "Zr1 Pb1 O3",
"formula_reduced": "ZrPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.978387164,
"spacegroup": 221
},
{
"id": "jvasp-92797",
"created_at": "2022-09-04T14:36:31.446459Z",
"updated_at": "2022-09-04T14:36:31.446483Z",
"structure_string": "La1 B1 Pd3\n1.0\n4.411819 -0.000000 0.000000\n0.000000 4.411819 0.000000\n0.000000 0.000000 4.411819\nLa B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"B",
"Pd"
],
"chemical_system": "B-La-Pd",
"density": 9.068742920178194,
"density_atomic": 0.05822599841783074,
"volume": 85.8722930626267,
"volume_molar": 10.34270072414219,
"formula_full": "La1 B1 Pd3",
"formula_reduced": "LaBPd3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3056129366666664,
"spacegroup": 221
},
{
"id": "jvasp-93253",
"created_at": "2022-09-04T14:36:31.364363Z",
"updated_at": "2022-09-04T14:36:31.364392Z",
"structure_string": "La1 Sc1 O3\n1.0\n4.063373 -0.000000 -0.000000\n-0.000000 4.063373 -0.000000\n0.000000 0.000000 4.063373\nLa Sc O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 La\n0.000000 0.000000 0.000000 Sc\n0.499999 0.000000 0.000000 O\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Sc",
"O"
],
"chemical_system": "La-O-Sc",
"density": 5.738707302611396,
"density_atomic": 0.07452636391087063,
"volume": 67.0903521602063,
"volume_molar": 8.080550886934647,
"formula_full": "La1 Sc1 O3",
"formula_reduced": "LaScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.77157215,
"spacegroup": 221
},
{
"id": "jvasp-51448",
"created_at": "2022-09-04T14:36:31.734268Z",
"updated_at": "2022-09-04T14:36:31.734287Z",
"structure_string": "Nd3 Ga1 N1\n1.0\n5.466882 -0.000000 0.000000\n0.000000 5.466882 -0.000000\n-0.000000 -0.000000 5.466882\nNd Ga N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"N"
],
"chemical_system": "Ga-N-Nd",
"density": 5.248836835719391,
"density_atomic": 0.030602077062852295,
"volume": 163.3876024078599,
"volume_molar": 19.678862802780944,
"formula_full": "Nd3 Ga1 N1",
"formula_reduced": "Nd3GaN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.235256015,
"spacegroup": 221
},
{
"id": "jvasp-15156",
"created_at": "2022-09-04T14:36:32.762868Z",
"updated_at": "2022-09-04T14:36:32.762894Z",
"structure_string": "Dy1 B1 Rh3\n1.0\n4.195785 0.000000 0.000000\n0.000000 4.195785 0.000000\n0.000000 -0.000000 4.195785\nDy B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500001 0.500001 0.500001 B\n0.000000 0.500001 0.500001 Rh\n0.500001 0.500001 0.000000 Rh\n0.500001 0.000000 0.500001 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"B",
"Rh"
],
"chemical_system": "B-Dy-Rh",
"density": 10.836305372239062,
"density_atomic": 0.06769090590528498,
"volume": 73.86516597955035,
"volume_molar": 8.89652853579231,
"formula_full": "Dy1 B1 Rh3",
"formula_reduced": "DyBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.942305616666667,
"spacegroup": 221
},
{
"id": "jvasp-99034",
"created_at": "2022-09-04T14:36:32.192212Z",
"updated_at": "2022-09-04T14:36:32.192241Z",
"structure_string": "Li3 B3 Pt9\n1.0\n9.329298 0.000000 0.000000\n-4.664649 8.079409 -0.000000\n-0.000000 -0.000000 2.804317\nLi B Pt\n3 3 9\ndirect\n-0.000000 0.362137 0.000000 Li\n0.637863 0.637863 0.000000 Li\n0.362137 0.000000 0.000000 Li\n0.000000 0.000000 0.500001 B\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.681429 0.164917 0.500001 Pt\n0.483488 0.318571 0.500001 Pt\n0.835083 0.516512 0.500001 Pt\n0.164917 0.681429 0.500001 Pt\n0.318571 0.483488 0.500001 Pt\n0.516512 0.835083 0.500001 Pt\n-0.000000 0.822558 0.000000 Pt\n0.177442 0.177442 0.000000 Pt\n0.822558 0.000000 0.000000 Pt\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"B",
"Pt"
],
"chemical_system": "B-Li-Pt",
"density": 14.211335129203318,
"density_atomic": 0.07096359274994089,
"volume": 211.37599462947844,
"volume_molar": 8.486239952958154,
"formula_full": "Li3 B3 Pt9",
"formula_reduced": "LiBPt3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.679755356666667,
"spacegroup": 189
},
{
"id": "jvasp-92526",
"created_at": "2022-09-04T14:36:19.262618Z",
"updated_at": "2022-09-04T14:36:19.262645Z",
"structure_string": "Ba1 Sn3 Au1\n1.0\n5.109643 -0.000000 -0.000000\n-0.000000 5.109643 -0.000000\n-2.554821 -2.554821 5.623907\nBa Sn Au\n1 3 1\ndirect\n-0.000457 -0.000457 -0.000914 Ba\n0.600911 0.600911 0.201823 Sn\n0.249902 0.749901 0.499804 Sn\n0.749901 0.249902 0.499804 Sn\n0.357632 0.357632 0.715263 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Au"
],
"chemical_system": "Au-Ba-Sn",
"density": 7.8081016702154145,
"density_atomic": 0.03405263772410262,
"volume": 146.83150364181554,
"volume_molar": 17.684799658669313,
"formula_full": "Ba1 Sn3 Au1",
"formula_reduced": "BaSn3Au",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.196739728,
"spacegroup": 107
},
{
"id": "jvasp-92677",
"created_at": "2022-09-04T14:36:20.210787Z",
"updated_at": "2022-09-04T14:36:20.210797Z",
"structure_string": "Sm1 Si3 Rh1\n1.0\n4.242761 -0.000000 0.000000\n-0.000000 4.242761 0.000000\n-2.121381 -2.121381 4.909431\nSm Si Rh\n1 3 1\ndirect\n0.999469 0.999469 0.998937 Sm\n0.414346 0.414346 0.828692 Si\n0.763118 0.263118 0.526235 Si\n0.263118 0.763118 0.526235 Si\n0.653949 0.653949 0.307899 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Sm",
"density": 6.341951062482124,
"density_atomic": 0.05657723349070177,
"volume": 88.37477005343023,
"volume_molar": 10.64410609788779,
"formula_full": "Sm1 Si3 Rh1",
"formula_reduced": "SmSi3Rh",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.798121535,
"spacegroup": 107
},
{
"id": "jvasp-99017",
"created_at": "2022-09-04T14:36:19.205320Z",
"updated_at": "2022-09-04T14:36:19.205345Z",
"structure_string": "Tb4 Fe4 O12\n1.0\n5.152636 0.000000 0.000000\n0.000000 5.539015 0.000000\n0.000000 0.000000 7.396161\nTb Fe O\n4 4 12\ndirect\n0.979016 0.072853 0.250000 Tb\n0.520985 0.572854 0.250000 Tb\n0.020984 0.927147 0.750000 Tb\n0.479016 0.427147 0.750000 Tb\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.903471 0.526026 0.750000 O\n0.403470 0.973975 0.250000 O\n0.691845 0.300912 0.451626 O\n0.691845 0.300912 0.048374 O\n0.191844 0.199088 0.951626 O\n0.808156 0.800913 0.451626 O\n0.308156 0.699088 0.548374 O\n0.308156 0.699088 0.951626 O\n0.808156 0.800913 0.048374 O\n0.191844 0.199088 0.548374 O\n0.096530 0.473975 0.250000 O\n0.596530 0.026026 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Tb",
"density": 8.268259761866293,
"density_atomic": 0.09474616376923753,
"volume": 211.0903408048449,
"volume_molar": 6.356078727015738,
"formula_full": "Tb4 Fe4 O12",
"formula_reduced": "TbFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.04998688,
"spacegroup": 62
}
]
}