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=created_at&page=1542",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1540",
"results": [
{
"id": "jvasp-22719",
"created_at": "2022-09-04T14:36:42.955548Z",
"updated_at": "2022-09-04T14:36:42.955572Z",
"structure_string": "Rb1 Mg1 F3\n1.0\n4.086507 0.000000 0.000000\n-0.000000 4.086507 -0.000000\n-0.000000 -0.000000 4.086507\nRb Mg F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"F"
],
"chemical_system": "F-Mg-Rb",
"density": 4.057935141246848,
"density_atomic": 0.07326781881788456,
"volume": 68.24278490435296,
"volume_molar": 8.219353130968333,
"formula_full": "Rb1 Mg1 F3",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-101719",
"created_at": "2022-09-04T14:36:42.962608Z",
"updated_at": "2022-09-04T14:36:42.962632Z",
"structure_string": "Ga1 Sb1 O4\n1.0\n4.637946 0.014613 0.000000\n-0.176302 4.634617 0.000000\n-0.000000 -0.000000 3.107660\nGa Sb O\n1 1 4\ndirect\n0.500001 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Sb\n0.195384 0.804617 0.500000 O\n0.804617 0.195383 0.500000 O\n0.307464 0.307464 -0.000000 O\n0.692537 0.692536 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"Sb",
"O"
],
"chemical_system": "Ga-O-Sb",
"density": 6.350120105767227,
"density_atomic": 0.089810303717116,
"volume": 66.80747922753682,
"volume_molar": 6.705400728816713,
"formula_full": "Ga1 Sb1 O4",
"formula_reduced": "GaSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7096770708333335,
"spacegroup": 65
},
{
"id": "jvasp-102870",
"created_at": "2022-09-04T14:36:42.968134Z",
"updated_at": "2022-09-04T14:36:42.968153Z",
"structure_string": "K2 Sc1 Au1 Cl6\n1.0\n6.318026 -0.000000 3.647714\n2.106009 5.956691 3.647714\n0.000000 0.000000 7.295428\nK Sc Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Au\n0.759839 0.240161 0.240161 Cl\n0.240162 0.240161 0.759839 Cl\n0.240162 0.759838 0.759838 Cl\n0.240162 0.759838 0.240161 Cl\n0.759839 0.240161 0.759838 Cl\n0.759839 0.759838 0.240160 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Sc",
"density": 3.222599100763201,
"density_atomic": 0.03642191224403927,
"volume": 274.55999380253786,
"volume_molar": 16.534389297436107,
"formula_full": "K2 Sc1 Au1 Cl6",
"formula_reduced": "K2ScAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0461263225,
"spacegroup": 225
},
{
"id": "jvasp-102823",
"created_at": "2022-09-04T14:36:42.977506Z",
"updated_at": "2022-09-04T14:36:42.977539Z",
"structure_string": "Na2 Sr2 N2\n1.0\n4.012021 -0.000000 0.000000\n-2.006010 3.474509 0.000000\n0.000000 0.000000 8.728032\nNa Sr N\n2 2 2\ndirect\n0.666667 0.333333 0.729605 Na\n0.333333 0.666667 0.229605 Na\n0.000001 0.000001 0.499034 Sr\n0.999999 0.999999 -0.000966 Sr\n0.333333 0.666667 0.616000 N\n0.666667 0.333333 0.116000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Sr",
"N"
],
"chemical_system": "N-Na-Sr",
"density": 3.401586874782118,
"density_atomic": 0.04931491421497011,
"volume": 121.66704729212792,
"volume_molar": 12.211601410779519,
"formula_full": "Na2 Sr2 N2",
"formula_reduced": "NaSrN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0527161866666663,
"spacegroup": 186
},
{
"id": "jvasp-102099",
"created_at": "2022-09-04T14:36:42.978413Z",
"updated_at": "2022-09-04T14:36:42.978448Z",
"structure_string": "Li2 Ti2 Sb2 O1\n1.0\n3.940672 -0.018035 -6.869871\n-0.295373 3.929629 -6.869871\n0.016807 0.018035 7.919832\nLi Ti Sb O\n2 2 2 1\ndirect\n0.668158 0.668159 0.000001 Li\n0.331842 0.331843 0.000001 Li\n0.500000 0.000000 0.500000 Ti\n0.000001 0.500000 0.500000 Ti\n0.859920 0.859921 0.000002 Sb\n0.140080 0.140081 0.000000 Sb\n0.500000 0.500001 0.000001 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb-Ti",
"density": 4.960054114508771,
"density_atomic": 0.056643445320004586,
"volume": 123.58005344579264,
"volume_molar": 10.631663956841232,
"formula_full": "Li2 Ti2 Sb2 O1",
"formula_reduced": "Li2Ti2Sb2O",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.2159503380952383,
"spacegroup": 139
},
{
"id": "jvasp-16163",
"created_at": "2022-09-04T14:36:42.978723Z",
"updated_at": "2022-09-04T14:36:42.978741Z",
"structure_string": "Sr2 Zn2 Si2\n1.0\n2.155184 -3.732889 -0.000000\n2.155184 3.732889 0.000000\n0.000000 0.000000 8.979067\nSr Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333332 0.750000 Zn\n0.333332 0.666666 0.250000 Zn\n0.333332 0.666666 0.750000 Si\n0.666666 0.333332 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Si"
],
"chemical_system": "Si-Sr-Zn",
"density": 4.1633380555723845,
"density_atomic": 0.04152987388218948,
"volume": 144.4743130456065,
"volume_molar": 14.500744156082444,
"formula_full": "Sr2 Zn2 Si2",
"formula_reduced": "SrZnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1258951033333331,
"spacegroup": 194
},
{
"id": "jvasp-102081",
"created_at": "2022-09-04T14:36:42.984834Z",
"updated_at": "2022-09-04T14:36:42.984844Z",
"structure_string": "Rb2 Ag1 Au1 Cl6\n1.0\n6.249514 0.000000 3.608159\n2.083171 5.892099 3.608159\n0.000000 -0.000000 7.216318\nRb Ag Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751795 0.248204 0.248205 Cl\n0.248204 0.248204 0.751796 Cl\n0.248204 0.751796 0.751796 Cl\n0.248204 0.751796 0.248205 Cl\n0.751795 0.248204 0.751796 Cl\n0.751795 0.751796 0.248205 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Au",
"Cl"
],
"chemical_system": "Ag-Au-Cl-Rb",
"density": 4.30242949159751,
"density_atomic": 0.037632932063852084,
"volume": 265.72471108636773,
"volume_molar": 16.00231613572439,
"formula_full": "Rb2 Ag1 Au1 Cl6",
"formula_reduced": "Rb2AgAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15660",
"created_at": "2022-09-04T14:36:42.987088Z",
"updated_at": "2022-09-04T14:36:42.987111Z",
"structure_string": "Sr1 Cu2 O3\n1.0\n3.507448 0.000000 0.000000\n0.000000 3.764634 -1.279354\n0.000000 -0.017971 6.125715\nSr Cu O\n1 2 3\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.334822 0.669646 Cu\n0.000000 0.665177 0.330356 Cu\n0.000000 0.829889 0.659781 O\n0.000000 0.170110 0.340220 O\n0.000000 0.499999 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.398690613855407,
"density_atomic": 0.0742529406339687,
"volume": 80.80488057135831,
"volume_molar": 8.11030608159515,
"formula_full": "Sr1 Cu2 O3",
"formula_reduced": "SrCu2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8231179516666667,
"spacegroup": 65
},
{
"id": "jvasp-101983",
"created_at": "2022-09-04T14:36:42.988855Z",
"updated_at": "2022-09-04T14:36:42.988876Z",
"structure_string": "H20 C8\n1.0\n5.392802 0.000000 -1.418201\n0.000000 5.054772 0.000000\n-0.029561 0.000000 7.606899\nH C\n20 8\ndirect\n0.765278 0.847121 0.008952 H\n0.710188 0.160465 0.532659 H\n0.289812 0.839535 0.467342 H\n0.289812 0.660464 0.967342 H\n0.710188 0.339535 0.032659 H\n0.823756 0.110465 0.338025 H\n0.176244 0.889535 0.661975 H\n0.823756 0.389535 0.838025 H\n0.538374 0.278938 0.317186 H\n0.461625 0.721062 0.682815 H\n0.176244 0.610465 0.161975 H\n0.538374 0.221062 0.817186 H\n0.461625 0.778938 0.182815 H\n0.234722 0.347121 0.491048 H\n0.765278 0.652879 0.508952 H\n0.869474 0.890929 0.811375 H\n0.234722 0.152879 0.991048 H\n0.130526 0.390929 0.688626 H\n0.869474 0.609070 0.311375 H\n0.130526 0.109070 0.188626 H\n0.273348 0.748012 0.594807 C\n0.866476 0.985076 0.941713 C\n0.133524 0.014924 0.058287 C\n0.133524 0.485076 0.558287 C\n0.866476 0.514923 0.441713 C\n0.726651 0.248012 0.905194 C\n0.273348 0.751988 0.094807 C\n0.726651 0.251988 0.405194 C\n",
"nsites": 28,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 0.9318403257973552,
"density_atomic": 0.1351694026315124,
"volume": 207.14747165326517,
"volume_molar": 4.455254401335974,
"formula_full": "H20 C8",
"formula_reduced": "H5C2",
"formula_anonymous": "A2B5",
"energy_above_hull": 4.039254285714287,
"spacegroup": 14
},
{
"id": "jvasp-1429",
"created_at": "2022-09-04T14:36:42.992803Z",
"updated_at": "2022-09-04T14:36:42.992816Z",
"structure_string": "Na1 N1 O2\n1.0\n3.167301 -0.000000 1.439179\n1.550463 3.882389 0.792629\n-0.022747 -0.020943 4.254901\nNa N O\n1 1 2\ndirect\n0.586333 0.413666 0.413666 Na\n0.124756 0.875243 0.875243 N\n0.000002 0.803998 0.195995 O\n0.000002 0.195995 0.803997 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.1841802041873972,
"density_atomic": 0.0762570580657503,
"volume": 52.45416098469368,
"volume_molar": 7.897158522438139,
"formula_full": "Na1 N1 O2",
"formula_reduced": "NaNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0739773125000003,
"spacegroup": 44
},
{
"id": "jvasp-22652",
"created_at": "2022-09-04T14:36:42.996273Z",
"updated_at": "2022-09-04T14:36:42.996292Z",
"structure_string": "Sc1 Sb1 Pd1\n1.0\n3.899830 0.000000 2.251568\n1.299943 3.676795 2.251568\n0.000000 0.000000 4.503137\nSc Sb Pd\n1 1 1\ndirect\n0.499999 0.500001 0.500001 Sc\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Sc",
"density": 7.024212643833773,
"density_atomic": 0.04646126205911397,
"volume": 64.56992055409549,
"volume_molar": 12.961638347959342,
"formula_full": "Sc1 Sb1 Pd1",
"formula_reduced": "ScSbPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3948190166666663,
"spacegroup": 216
},
{
"id": "jvasp-8772",
"created_at": "2022-09-04T14:36:43.009327Z",
"updated_at": "2022-09-04T14:36:43.009344Z",
"structure_string": "Li2 Ho2 Se4\n1.0\n7.984249 -0.000000 0.000000\n7.984249 6.986073 0.050346\n3.992125 4.681136 3.309823\nLi Ho Se\n2 2 4\ndirect\n0.000006 0.000000 0.000000 Li\n0.749995 0.499999 0.000001 Li\n0.250005 0.499999 0.000001 Ho\n0.499996 0.000000 0.000000 Ho\n0.252832 -0.000000 0.494332 Se\n0.747164 0.000001 0.505667 Se\n0.497167 0.500000 0.505668 Se\n0.002835 0.500000 0.494332 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ho",
"Se"
],
"chemical_system": "Ho-Li-Se",
"density": 5.9937080902855095,
"density_atomic": 0.04377914349780191,
"volume": 182.73541601839855,
"volume_molar": 13.755729963749435,
"formula_full": "Li2 Ho2 Se4",
"formula_reduced": "LiHoSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.776380575,
"spacegroup": 141
}
]
}