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=-nelements&page=4534",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4532",
"results": [
{
"id": "jvasp-78392",
"created_at": "2022-09-04T14:38:01.966310Z",
"updated_at": "2022-09-04T14:38:01.966347Z",
"structure_string": "N1 Cl1\n1.0\n3.174349 0.000000 0.000000\n-0.000000 3.174349 -0.000000\n0.000000 -0.000000 3.174349\nN Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 2.567654327977321,
"density_atomic": 0.06252676741446565,
"volume": 31.986300950803624,
"volume_molar": 9.631300335873062,
"formula_full": "N1 Cl1",
"formula_reduced": "NCl",
"formula_anonymous": "AB",
"energy_above_hull": 3.12639365875,
"spacegroup": 221
},
{
"id": "jvasp-58351",
"created_at": "2022-09-04T14:37:49.330416Z",
"updated_at": "2022-09-04T14:37:49.330427Z",
"structure_string": "Tb8 C12\n1.0\n6.755537 0.000000 -2.388443\n-3.377768 5.850466 -2.388443\n-0.000000 -0.000000 7.165328\nTb C\n8 12\ndirect\n0.101929 0.101929 0.101929 Tb\n0.000000 0.898071 0.500001 Tb\n0.500000 0.000000 0.898071 Tb\n0.000000 0.398071 0.500000 Tb\n0.500000 0.000000 0.398071 Tb\n0.398071 0.500000 0.000001 Tb\n0.601930 0.601930 0.601930 Tb\n0.898071 0.500000 0.000001 Tb\n0.794533 0.044532 0.750001 C\n0.044532 0.750001 0.794533 C\n0.750000 0.794533 0.044533 C\n0.705468 0.455468 0.250001 C\n0.250000 0.705468 0.455469 C\n0.955468 0.205468 0.750001 C\n0.205468 0.750001 0.955469 C\n0.544532 0.294532 0.250001 C\n0.294532 0.250000 0.544533 C\n0.750000 0.955468 0.205469 C\n0.250000 0.544533 0.294533 C\n0.455468 0.250000 0.705468 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"C"
],
"chemical_system": "C-Tb",
"density": 8.300077193039465,
"density_atomic": 0.07062258068578471,
"volume": 283.1955417911499,
"volume_molar": 8.527217076353836,
"formula_full": "Tb8 C12",
"formula_reduced": "Tb2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.38465336,
"spacegroup": 220
},
{
"id": "jvasp-17291",
"created_at": "2022-09-04T14:37:55.446425Z",
"updated_at": "2022-09-04T14:37:55.446444Z",
"structure_string": "Cu1 O1\n1.0\n2.593052 0.000000 1.497099\n0.864351 2.444753 1.497099\n-0.000000 -0.000000 2.994199\nCu O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.499999 0.500001 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 6.958847076399459,
"density_atomic": 0.10536663750732092,
"volume": 18.98134027349064,
"volume_molar": 5.715415147020877,
"formula_full": "Cu1 O1",
"formula_reduced": "CuO",
"formula_anonymous": "AB",
"energy_above_hull": 0.44612965625,
"spacegroup": 225
},
{
"id": "jvasp-78379",
"created_at": "2022-09-04T14:38:01.692219Z",
"updated_at": "2022-09-04T14:38:01.692246Z",
"structure_string": "Rb1 S1\n1.0\n2.790641 1.611178 2.278566\n-2.790641 1.611178 2.278566\n0.000000 -3.222355 2.278566\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 3.1750305839771737,
"density_atomic": 0.032536417239482376,
"volume": 61.46958299923185,
"volume_molar": 18.50892406399386,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.2772924999999999,
"spacegroup": 221
},
{
"id": "jvasp-57081",
"created_at": "2022-09-04T14:37:49.396716Z",
"updated_at": "2022-09-04T14:37:49.396741Z",
"structure_string": "Si8 O16\n1.0\n5.625475 -0.000000 -1.387830\n-0.342384 5.615046 -1.387830\n0.001064 0.001131 12.099472\nSi O\n8 16\ndirect\n0.433119 0.310080 0.122928 Si\n0.316882 0.437152 0.377072 Si\n0.562849 0.683119 0.622928 Si\n0.689921 0.566882 0.877072 Si\n0.060192 0.939921 0.377072 Si\n0.689809 0.812849 0.122928 Si\n0.060080 0.939809 0.622928 Si\n0.187152 0.310192 0.877072 Si\n0.775958 0.775957 0.000000 O\n0.192762 0.692762 0.385522 O\n0.814672 0.814672 0.629343 O\n0.935329 0.435329 0.870657 O\n0.525957 0.474044 0.500000 O\n0.442761 0.442761 0.885522 O\n0.185329 0.185329 0.370657 O\n0.142246 0.125000 0.750000 O\n0.224044 0.224044 0.000000 O\n0.557240 0.557239 0.114478 O\n0.307239 0.807239 0.614478 O\n0.875001 0.857755 0.250000 O\n0.974044 0.025956 0.500000 O\n0.564672 0.064671 0.129343 O\n0.375000 0.392246 0.250000 O\n0.607755 0.625000 0.750000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.0883394284626657,
"density_atomic": 0.06279314561643998,
"volume": 382.2073215856942,
"volume_molar": 9.59044287538182,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4507052000000005,
"spacegroup": 98
},
{
"id": "jvasp-16620",
"created_at": "2022-09-04T14:37:49.408127Z",
"updated_at": "2022-09-04T14:37:49.408154Z",
"structure_string": "Sm1 Tl3\n1.0\n4.783122 0.000000 -0.000000\n-0.000000 4.783122 -0.000000\n0.000000 -0.000000 4.783122\nSm Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Tl"
],
"chemical_system": "Sm-Tl",
"density": 11.585889851711498,
"density_atomic": 0.036553217995456945,
"volume": 109.4294899151463,
"volume_molar": 16.47499478910029,
"formula_full": "Sm1 Tl3",
"formula_reduced": "SmTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-20805",
"created_at": "2022-09-04T14:37:55.463123Z",
"updated_at": "2022-09-04T14:37:55.463147Z",
"structure_string": "Ca10 Zn6\n1.0\n7.076486 -0.000000 -3.249124\n-1.491815 6.917453 -3.249124\n0.028042 0.034735 9.391816\nCa Zn\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000001 Ca\n0.318146 0.818145 0.295338 Ca\n0.477193 0.318145 0.295338 Ca\n0.818146 0.977192 0.295339 Ca\n0.522808 0.681854 0.704663 Ca\n0.181855 0.022807 0.704662 Ca\n0.022807 0.522807 0.704663 Ca\n0.681855 0.181854 0.704663 Ca\n0.977193 0.477192 0.295339 Ca\n0.250000 0.250000 0.500000 Zn\n0.750001 0.749999 0.500001 Zn\n0.381455 0.881454 0.000001 Zn\n0.118546 0.381454 0.000000 Zn\n0.881455 0.618546 0.000001 Zn\n0.618546 0.118546 0.000000 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.8551618454444343,
"density_atomic": 0.034681693486239236,
"volume": 461.3384870132818,
"volume_molar": 17.364033167496345,
"formula_full": "Ca10 Zn6",
"formula_reduced": "Ca5Zn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-20222",
"created_at": "2022-09-04T14:37:46.851933Z",
"updated_at": "2022-09-04T14:37:46.851961Z",
"structure_string": "Ca1 Cu5\n1.0\n2.551505 -4.419335 0.000000\n2.551505 4.419335 -0.000000\n0.000000 0.000000 4.067150\nCa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.000000 Cu\n0.666666 0.333332 0.000000 Cu\n0.500000 -0.000001 0.500000 Cu\n0.499999 0.499999 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cu"
],
"chemical_system": "Ca-Cu",
"density": 6.477771298519466,
"density_atomic": 0.0654150559812859,
"volume": 91.72200359679421,
"volume_molar": 9.206046940818684,
"formula_full": "Ca1 Cu5",
"formula_reduced": "CaCu5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-39875",
"created_at": "2022-09-04T14:37:49.419001Z",
"updated_at": "2022-09-04T14:37:49.419010Z",
"structure_string": "Ir2 Cl6\n1.0\n4.202246 -7.278504 -0.000000\n4.202246 7.278504 -0.000000\n0.000000 0.000000 3.404334\nIr Cl\n2 6\ndirect\n0.333334 0.666667 0.250000 Ir\n0.666667 0.333334 0.749999 Ir\n0.215349 0.784651 0.749999 Cl\n0.569305 0.784652 0.749999 Cl\n0.215349 0.430696 0.749999 Cl\n0.784651 0.215349 0.250000 Cl\n0.430696 0.215349 0.250000 Cl\n0.784652 0.569305 0.250000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ir",
"Cl"
],
"chemical_system": "Cl-Ir",
"density": 4.761548729936576,
"density_atomic": 0.038415300221299305,
"volume": 208.2503573814168,
"volume_molar": 15.676412068389961,
"formula_full": "Ir2 Cl6",
"formula_reduced": "IrCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.228813325625,
"spacegroup": 194
},
{
"id": "jvasp-37979",
"created_at": "2022-09-04T14:37:56.802637Z",
"updated_at": "2022-09-04T14:37:56.802660Z",
"structure_string": "Ac6 Tl2\n1.0\n3.844896 -6.659555 0.000000\n3.844896 6.659555 -0.000000\n0.000000 0.000000 6.012601\nAc Tl\n6 2\ndirect\n0.825295 0.174707 0.250000 Ac\n0.825295 0.650590 0.250000 Ac\n0.349411 0.174706 0.250000 Ac\n0.174707 0.825295 0.750000 Ac\n0.174706 0.349411 0.750000 Ac\n0.650590 0.825295 0.750000 Ac\n0.666667 0.333334 0.750000 Tl\n0.333334 0.666667 0.250000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Tl"
],
"chemical_system": "Ac-Tl",
"density": 9.54966708378546,
"density_atomic": 0.025981714093576774,
"volume": 307.908861254761,
"volume_molar": 23.178381296593514,
"formula_full": "Ac6 Tl2",
"formula_reduced": "Ac3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.36406565,
"spacegroup": 194
},
{
"id": "jvasp-38385",
"created_at": "2022-09-04T14:37:46.792316Z",
"updated_at": "2022-09-04T14:37:46.792343Z",
"structure_string": "Ge3 B1\n1.0\n4.079263 -0.000000 0.000000\n0.000000 4.079263 -0.000000\n0.000000 0.000000 4.079263\nGe B\n3 1\ndirect\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"B"
],
"chemical_system": "B-Ge",
"density": 5.595372543547334,
"density_atomic": 0.05892707341554215,
"volume": 67.88051345758825,
"volume_molar": 10.219650172566768,
"formula_full": "Ge3 B1",
"formula_reduced": "Ge3B",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9739801083333333,
"spacegroup": 221
},
{
"id": "jvasp-16580",
"created_at": "2022-09-04T14:37:49.428716Z",
"updated_at": "2022-09-04T14:37:49.428737Z",
"structure_string": "Ni6 Mo2\n1.0\n4.238620 0.000000 0.000000\n0.000000 4.464346 0.000000\n0.000000 0.000000 5.031632\nNi Mo\n6 2\ndirect\n0.500000 0.160446 0.751258 Ni\n0.000000 0.839555 0.748741 Ni\n0.500000 0.665028 0.000000 Ni\n0.000000 0.334973 0.500000 Ni\n0.000000 0.839555 0.251259 Ni\n0.500000 0.160446 0.248741 Ni\n0.500000 0.655602 0.500000 Mo\n0.000000 0.344399 0.000000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"Mo"
],
"chemical_system": "Mo-Ni",
"density": 9.48831400812864,
"density_atomic": 0.08402311674173729,
"volume": 95.21189299118339,
"volume_molar": 7.167242770237048,
"formula_full": "Ni6 Mo2",
"formula_reduced": "Ni3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 2.242210775,
"spacegroup": 59
}
]
}