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=4469",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4467",
"results": [
{
"id": "jvasp-105473",
"created_at": "2022-09-04T14:36:56.472084Z",
"updated_at": "2022-09-04T14:36:56.472110Z",
"structure_string": "K1 Na4 Cl5\n1.0\n4.020851 0.005335 16.349657\n1.985422 3.496480 16.349657\n0.009151 0.005335 16.836818\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.595498 0.595501 0.595499 Na\n0.198477 0.198478 0.198477 Na\n0.801521 0.801525 0.801523 Na\n0.404500 0.404502 0.404501 Na\n0.706194 0.706197 0.706196 Cl\n0.499999 0.500001 0.500000 Cl\n0.103011 0.103011 0.103011 Cl\n0.293804 0.293805 0.293805 Cl\n0.896987 0.896991 0.896989 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.170997808296871,
"density_atomic": 0.04240384534478632,
"volume": 235.82766889865403,
"volume_molar": 14.201874172103688,
"formula_full": "K1 Na4 Cl5",
"formula_reduced": "KNa4Cl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-8803",
"created_at": "2022-09-04T14:37:02.272340Z",
"updated_at": "2022-09-04T14:37:02.272363Z",
"structure_string": "Ag1 P1 F6\n1.0\n5.787864 -0.000000 -0.000000\n2.893932 5.012438 -0.000000\n2.893932 1.670813 4.725770\nAg P F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 P\n0.199931 0.199931 0.800069 F\n0.199930 0.800069 0.199931 F\n0.199930 0.800069 0.800069 F\n0.800068 0.199931 0.199931 F\n0.800068 0.199931 0.800069 F\n0.800068 0.800069 0.199931 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"P",
"F"
],
"chemical_system": "Ag-F-P",
"density": 3.0622587189373367,
"density_atomic": 0.058351237979325274,
"volume": 137.10077587101958,
"volume_molar": 10.320502132506144,
"formula_full": "Ag1 P1 F6",
"formula_reduced": "AgPF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102362",
"created_at": "2022-09-04T14:37:02.284147Z",
"updated_at": "2022-09-04T14:37:02.284155Z",
"structure_string": "K2 Sc1 Tl1 Br6\n1.0\n7.022468 -0.000000 4.054424\n2.340823 6.620846 4.054424\n-0.000000 -0.000000 8.108847\nK Sc Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.769950 0.230050 0.230050 Br\n0.230050 0.230050 0.769950 Br\n0.230050 0.769950 0.769949 Br\n0.230050 0.769950 0.230050 Br\n0.769950 0.230050 0.769949 Br\n0.769949 0.769950 0.230050 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Tl",
"Br"
],
"chemical_system": "Br-K-Sc-Tl",
"density": 3.5541736498353593,
"density_atomic": 0.026523915681922656,
"volume": 377.0182396868155,
"volume_molar": 22.704569084814217,
"formula_full": "K2 Sc1 Tl1 Br6",
"formula_reduced": "K2ScTlBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-8339",
"created_at": "2022-09-04T14:36:49.619213Z",
"updated_at": "2022-09-04T14:36:49.619239Z",
"structure_string": "Te1 F6\n1.0\n4.538386 0.088768 3.045329\n1.669981 4.220900 3.045329\n0.127877 0.088768 5.463940\nTe F\n1 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.377762 0.082723 0.772444 F\n0.082723 0.772445 0.377762 F\n0.227556 0.622239 0.917277 F\n0.917278 0.227557 0.622238 F\n0.622239 0.917278 0.227555 F\n0.772445 0.377762 0.082722 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Te",
"F"
],
"chemical_system": "F-Te",
"density": 3.9534655295175836,
"density_atomic": 0.06898381234214661,
"volume": 101.4730813264035,
"volume_molar": 8.729788272836135,
"formula_full": "Te1 F6",
"formula_reduced": "TeF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-58881",
"created_at": "2022-09-04T14:36:57.649284Z",
"updated_at": "2022-09-04T14:36:57.649304Z",
"structure_string": "K4 In4 Br12\n1.0\n4.254016 -7.368170 0.000000\n4.254015 7.368170 -0.000000\n0.000000 -0.000000 10.796943\nK In Br\n4 4 12\ndirect\n0.333334 0.666668 0.130010 K\n0.666668 0.333334 0.869989 K\n0.000000 0.000000 0.739240 K\n0.000000 0.000000 0.260760 K\n0.333334 0.666668 0.759086 In\n0.666668 0.333334 0.240913 In\n0.333334 0.666668 0.503991 In\n0.666668 0.333334 0.496008 In\n0.914502 0.612146 0.624477 Br\n0.612146 0.697645 0.375523 Br\n0.302357 0.914502 0.375523 Br\n0.085499 0.387855 0.375523 Br\n0.906110 0.620648 0.117049 Br\n0.620648 0.714539 0.882951 Br\n0.714539 0.093891 0.117049 Br\n0.093891 0.379353 0.882951 Br\n0.697644 0.085499 0.624477 Br\n0.285462 0.906110 0.882951 Br\n0.379353 0.285462 0.117049 Br\n0.387855 0.302356 0.624477 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"In",
"Br"
],
"chemical_system": "Br-In-K",
"density": 3.862832651132693,
"density_atomic": 0.029548843370108404,
"volume": 676.8454436437262,
"volume_molar": 20.38029267193583,
"formula_full": "K4 In4 Br12",
"formula_reduced": "KInBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 147
},
{
"id": "jvasp-12948",
"created_at": "2022-09-04T14:37:04.045566Z",
"updated_at": "2022-09-04T14:37:04.045589Z",
"structure_string": "K4 Rb4 S4\n1.0\n4.983263 0.000000 0.000000\n-0.000000 8.175303 0.000000\n0.000000 0.000000 9.416222\nK Rb S\n4 4 4\ndirect\n0.750000 0.648923 0.424856 K\n0.250000 0.351076 0.575144 K\n0.750000 0.148924 0.075144 K\n0.250000 0.851076 0.924855 K\n0.250000 0.978164 0.319830 Rb\n0.750000 0.021836 0.680170 Rb\n0.250000 0.478164 0.180170 Rb\n0.750000 0.521836 0.819830 Rb\n0.250000 0.736798 0.608830 S\n0.750000 0.263202 0.391170 S\n0.250000 0.236798 0.891170 S\n0.750000 0.763202 0.108830 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Rb",
"S"
],
"chemical_system": "K-Rb-S",
"density": 2.7120190229895016,
"density_atomic": 0.031281451076863726,
"volume": 383.6139177339953,
"volume_molar": 19.2514750840765,
"formula_full": "K4 Rb4 S4",
"formula_reduced": "KRbS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-107115",
"created_at": "2022-09-04T14:36:50.939653Z",
"updated_at": "2022-09-04T14:36:50.939680Z",
"structure_string": "K2 Nd1 Cu1 Cl6\n1.0\n6.370659 -0.000000 3.678102\n2.123553 6.006315 3.678102\n-0.000000 -0.000000 7.356204\nK Nd Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750001 0.749999 K\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.499999 Cu\n0.259823 0.740177 0.740176 Cl\n0.740176 0.740177 0.259823 Cl\n0.740176 0.259824 0.259823 Cl\n0.740176 0.259824 0.740176 Cl\n0.259823 0.740177 0.259823 Cl\n0.259823 0.259824 0.740176 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Nd",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K-Nd",
"density": 2.94201241526902,
"density_atomic": 0.035526610225293194,
"volume": 281.47914863210036,
"volume_molar": 16.9510705406747,
"formula_full": "K2 Nd1 Cu1 Cl6",
"formula_reduced": "K2NdCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107423",
"created_at": "2022-09-04T14:36:56.212148Z",
"updated_at": "2022-09-04T14:36:56.212171Z",
"structure_string": "K2 Sr1 Cl4\n1.0\n4.993507 -0.011094 7.772100\n2.273285 4.446056 7.772100\n-0.018177 -0.011094 9.237983\nK Sr Cl\n2 1 4\ndirect\n0.769517 0.769521 0.769518 K\n0.230481 0.230482 0.230481 K\n0.000000 0.000000 0.000000 Sr\n0.888113 0.888117 0.888115 Cl\n0.111884 0.111885 0.111885 Cl\n0.637114 0.637117 0.637115 Cl\n0.362884 0.362886 0.362885 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Sr",
"Cl"
],
"chemical_system": "Cl-K-Sr",
"density": 2.4774271956481027,
"density_atomic": 0.033948698885606005,
"volume": 206.19346925746095,
"volume_molar": 17.738944223730893,
"formula_full": "K2 Sr1 Cl4",
"formula_reduced": "K2SrCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-101484",
"created_at": "2022-09-04T14:36:49.581965Z",
"updated_at": "2022-09-04T14:36:49.581986Z",
"structure_string": "K3 La1 Cl6\n1.0\n6.931826 -0.000000 4.002092\n2.310609 6.535388 4.002092\n-0.000000 -0.000000 8.004183\nK La Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 La\n0.756911 0.243090 0.243089 Cl\n0.243090 0.243090 0.756910 Cl\n0.243090 0.756910 0.756909 Cl\n0.243090 0.756910 0.243089 Cl\n0.756911 0.243090 0.756909 Cl\n0.756911 0.756910 0.243089 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"La",
"Cl"
],
"chemical_system": "Cl-K-La",
"density": 2.1473869313207437,
"density_atomic": 0.02757807584093357,
"volume": 362.60687865529786,
"volume_molar": 21.836696638064435,
"formula_full": "K3 La1 Cl6",
"formula_reduced": "K3LaCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-81311",
"created_at": "2022-09-04T14:37:05.469663Z",
"updated_at": "2022-09-04T14:37:05.469687Z",
"structure_string": "Ba2 Na1 Mg1\n1.0\n-13.301666 -3.603972 -4.737095\n-4.350589 -2.062743 -5.427754\n-6.295174 -5.297248 -3.909502\nBa Na Mg\n2 1 1\ndirect\n0.744914 -0.013722 0.013720 Ba\n0.255087 0.013720 -0.013721 Ba\n0.000000 0.000000 0.000000 Na\n0.500001 -0.000001 -0.000000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Mg"
],
"chemical_system": "Ba-Mg-Na",
"density": 3.2267589612596668,
"density_atomic": 0.024142967483267257,
"volume": 165.67971616464612,
"volume_molar": 24.943664295508658,
"formula_full": "Ba2 Na1 Mg1",
"formula_reduced": "Ba2NaMg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-102795",
"created_at": "2022-09-04T14:36:57.440818Z",
"updated_at": "2022-09-04T14:36:57.440848Z",
"structure_string": "Ca1 Yb3 In2 Ge4\n1.0\n7.327123 -0.001048 0.000000\n-0.026732 7.327075 0.000000\n0.000000 0.000000 4.379875\nYb Ca In Ge\n3 1 2 4\ndirect\n0.174070 0.825929 -0.000000 Yb\n0.672721 0.673570 -0.000000 Yb\n0.326429 0.327279 -0.000000 Yb\n0.825294 0.174706 -0.000000 Ca\n0.500082 0.999717 0.500001 In\n0.000282 0.499918 0.500001 In\n0.376676 0.623324 0.500001 Ge\n0.620505 0.379494 0.500001 Ge\n0.124892 0.120952 0.500001 Ge\n0.879048 0.875107 0.500001 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ca",
"In",
"Ge"
],
"chemical_system": "Ca-Ge-In-Yb",
"density": 7.622606284106008,
"density_atomic": 0.042527944399181866,
"volume": 235.1395098276223,
"volume_molar": 14.16043226419345,
"formula_full": "Ca1 Yb3 In2 Ge4",
"formula_reduced": "CaYb3(InGe2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-107577",
"created_at": "2022-09-04T14:36:57.439936Z",
"updated_at": "2022-09-04T14:36:57.439956Z",
"structure_string": "Ca2 Zn3 Ga1\n1.0\n4.470345 0.029494 3.608858\n2.197837 3.892862 3.608858\n0.011373 0.006690 7.277022\nCa Zn Ga\n2 3 1\ndirect\n0.458469 0.458468 0.792300 Ca\n0.542266 0.542264 0.205910 Ca\n0.163466 0.163465 0.383867 Zn\n0.164853 0.164853 0.786714 Zn\n0.835194 0.835191 0.220883 Zn\n0.835756 0.835754 0.610326 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 4.5630007014550396,
"density_atomic": 0.047636907516721144,
"volume": 125.95276042832809,
"volume_molar": 12.641754206832495,
"formula_full": "Ca2 Zn3 Ga1",
"formula_reduced": "Ca2Zn3Ga",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
}
]
}