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=-nsites&page=1584",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1582",
"results": [
{
"id": "jvasp-26318",
"created_at": "2022-09-04T14:38:17.215471Z",
"updated_at": "2022-09-04T14:38:17.215497Z",
"structure_string": "Ba2 Ta1 Bi1 O6\n1.0\n5.279126 -0.000057 3.024489\n1.785920 4.980797 3.002081\n-0.000370 -0.022784 6.119929\nBa Ta Bi O\n2 1 1 6\ndirect\n0.751172 0.753561 0.744092 Ba\n0.248829 0.246440 0.255908 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 -0.000000 -0.000000 Bi\n0.302907 0.237328 0.692012 O\n0.697094 0.762672 0.307987 O\n0.767752 0.237334 0.692023 O\n0.728779 0.336152 0.206296 O\n0.232248 0.762666 0.307977 O\n0.271221 0.663849 0.793703 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Ta",
"density": 7.836594684941121,
"density_atomic": 0.06204890766605791,
"volume": 161.16319168452043,
"volume_molar": 9.705474256550438,
"formula_full": "Ba2 Ta1 Bi1 O6",
"formula_reduced": "Ba2TaBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.309134644,
"spacegroup": 12
},
{
"id": "jvasp-38143",
"created_at": "2022-09-04T14:38:06.499461Z",
"updated_at": "2022-09-04T14:38:06.499484Z",
"structure_string": "Y2 Re2 N6\n1.0\n4.775970 -0.006928 2.637391\n1.553217 4.516355 2.637391\n-0.009723 -0.006928 5.455788\nY Re N\n2 2 6\ndirect\n0.750001 0.749998 0.750000 Y\n0.250000 0.249999 0.250000 Y\n0.500001 0.499999 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.171543 0.749999 0.328458 N\n0.328459 0.171541 0.750000 N\n0.250001 0.671541 0.828458 N\n0.671543 0.828457 0.250000 N\n0.828459 0.249999 0.671542 N\n0.750001 0.328457 0.171542 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Re",
"N"
],
"chemical_system": "N-Re-Y",
"density": 8.932070341561746,
"density_atomic": 0.0848069948166768,
"volume": 117.91480197614027,
"volume_molar": 7.100995351878429,
"formula_full": "Y2 Re2 N6",
"formula_reduced": "YReN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.222494639999999,
"spacegroup": 167
},
{
"id": "jvasp-106317",
"created_at": "2022-09-04T14:38:17.304170Z",
"updated_at": "2022-09-04T14:38:17.304188Z",
"structure_string": "Zr4 Se6\n1.0\n6.448884 0.002760 1.063642\n-3.496263 5.418880 1.063642\n0.004812 0.008836 6.653132\nZr Se\n4 6\ndirect\n0.171452 0.828549 0.499999 Zr\n0.500000 0.500000 0.500000 Zr\n0.828548 0.171452 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.259112 0.259112 0.244273 Se\n0.578700 0.920846 0.234226 Se\n0.920845 0.578700 0.234226 Se\n0.079154 0.421300 0.765773 Se\n0.421299 0.079155 0.765773 Se\n0.740888 0.740889 0.755726 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 5.991273989875061,
"density_atomic": 0.04302156702059367,
"volume": 232.44155646894905,
"volume_molar": 13.997957715294996,
"formula_full": "Zr4 Se6",
"formula_reduced": "Zr2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.44040382,
"spacegroup": 12
},
{
"id": "jvasp-38103",
"created_at": "2022-09-04T14:38:07.256542Z",
"updated_at": "2022-09-04T14:38:07.256566Z",
"structure_string": "Rb2 In1 Ga1 F6\n1.0\n-0.000000 4.497040 4.497040\n4.497040 -0.000000 4.497040\n4.497040 4.497040 -0.000000\nRb In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ga\n0.285694 0.714306 0.714306 F\n0.285694 0.714306 0.285694 F\n0.714306 0.285694 0.714306 F\n0.714306 0.714306 0.285694 F\n0.285694 0.285694 0.714306 F\n0.714306 0.285694 0.285694 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Ga",
"F"
],
"chemical_system": "F-Ga-In-Rb",
"density": 4.285918793021755,
"density_atomic": 0.05497810327636715,
"volume": 181.89059651133132,
"volume_molar": 10.953707751116022,
"formula_full": "Rb2 In1 Ga1 F6",
"formula_reduced": "Rb2InGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108574",
"created_at": "2022-09-04T14:38:06.473944Z",
"updated_at": "2022-09-04T14:38:06.473976Z",
"structure_string": "K2 Li1 Nd1 I6\n1.0\n7.317237 0.000000 4.224609\n2.439079 6.898758 4.224609\n0.000000 0.000000 8.449218\nK Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.742582 0.257418 0.257418 I\n0.257418 0.257418 0.742582 I\n0.257418 0.742582 0.742582 I\n0.257418 0.742582 0.257418 I\n0.742582 0.257418 0.742582 I\n0.742582 0.742582 0.257418 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"I"
],
"chemical_system": "I-K-Li-Nd",
"density": 3.8574771432573485,
"density_atomic": 0.023445821377707992,
"volume": 426.5152343738267,
"volume_molar": 25.685347776835744,
"formula_full": "K2 Li1 Nd1 I6",
"formula_reduced": "K2LiNdI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21100",
"created_at": "2022-09-04T14:38:30.040166Z",
"updated_at": "2022-09-04T14:38:30.040186Z",
"structure_string": "Nd4 Mg2 Ni4\n1.0\n7.506559 0.000000 0.000000\n0.000000 7.506559 -0.000000\n0.000000 0.000000 3.858150\nNd Mg Ni\n4 2 4\ndirect\n0.326299 0.826299 0.500000 Nd\n0.826299 0.673701 0.500000 Nd\n0.173701 0.326299 0.500000 Nd\n0.673701 0.173701 0.500000 Nd\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.120811 0.620811 0.000000 Ni\n0.620811 0.879189 0.000000 Ni\n0.879189 0.379189 0.000000 Ni\n0.379189 0.120811 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ni"
],
"chemical_system": "Mg-Nd-Ni",
"density": 6.5714945927670465,
"density_atomic": 0.0459980145964721,
"volume": 217.4006875672188,
"volume_molar": 13.092175418505734,
"formula_full": "Nd4 Mg2 Ni4",
"formula_reduced": "Nd2MgNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8856833700000003,
"spacegroup": 127
},
{
"id": "jvasp-36905",
"created_at": "2022-09-04T14:38:07.262450Z",
"updated_at": "2022-09-04T14:38:07.262474Z",
"structure_string": "Rb2 Se2 Br6\n1.0\n0.000000 5.222755 0.037024\n8.601482 0.000000 0.000000\n0.000000 -0.891644 -7.603353\nRb Se Br\n2 2 6\ndirect\n0.214247 0.750000 0.659952 Rb\n0.785755 0.250000 0.340048 Rb\n0.000000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.283039 0.507079 0.307806 Br\n0.716963 0.007079 0.692194 Br\n0.283039 -0.007079 0.307806 Br\n0.716963 0.492920 0.692194 Br\n0.747202 0.750000 0.086755 Br\n0.252800 0.250000 0.913246 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 3.9327271139616204,
"density_atomic": 0.02930104416730291,
"volume": 341.2847659251345,
"volume_molar": 20.552648996448116,
"formula_full": "Rb2 Se2 Br6",
"formula_reduced": "RbSeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-109441",
"created_at": "2022-09-04T14:38:19.764578Z",
"updated_at": "2022-09-04T14:38:19.764606Z",
"structure_string": "K3 Y1 F6\n1.0\n5.678911 -0.000000 3.278721\n1.892970 5.354129 3.278721\n-0.000000 -0.000000 6.557441\nK Y F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.767199 0.232801 0.232801 F\n0.232801 0.232801 0.767199 F\n0.232801 0.767199 0.767199 F\n0.232801 0.767199 0.232801 F\n0.767199 0.232801 0.767199 F\n0.767199 0.767199 0.232801 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Y",
"F"
],
"chemical_system": "F-K-Y",
"density": 2.6666754490698557,
"density_atomic": 0.05015470901714226,
"volume": 199.38307281539852,
"volume_molar": 12.007129296556593,
"formula_full": "K3 Y1 F6",
"formula_reduced": "K3YF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.006756,
"spacegroup": 225
},
{
"id": "jvasp-109477",
"created_at": "2022-09-04T14:38:26.877831Z",
"updated_at": "2022-09-04T14:38:26.877849Z",
"structure_string": "K3 Y1 I6\n1.0\n7.647886 -0.000000 4.415509\n2.549295 7.210496 4.415509\n-0.000000 -0.000000 8.831018\nK Y I\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.760365 0.239636 0.239636 I\n0.239636 0.239636 0.760364 I\n0.239636 0.760365 0.760364 I\n0.239636 0.760365 0.239635 I\n0.760365 0.239636 0.760364 I\n0.760365 0.760365 0.239635 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Y",
"I"
],
"chemical_system": "I-K-Y",
"density": 3.2994383310176882,
"density_atomic": 0.020534431511903418,
"volume": 486.98694162549333,
"volume_molar": 29.327039107506238,
"formula_full": "K3 Y1 I6",
"formula_reduced": "K3YI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-35190",
"created_at": "2022-09-04T14:38:08.125677Z",
"updated_at": "2022-09-04T14:38:08.125710Z",
"structure_string": "Sr2 Zr2 O6\n1.0\n5.797563 -0.000000 0.000000\n0.000000 5.797563 0.000000\n0.000000 -0.000000 4.208054\nSr Zr O\n2 2 6\ndirect\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.807064 0.692935 0.500000 O\n0.192935 0.307064 0.500000 O\n0.307064 0.807064 0.500000 O\n0.692935 0.192935 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 5.326362082123575,
"density_atomic": 0.07070135585080657,
"volume": 141.44000323136544,
"volume_molar": 8.517716085541377,
"formula_full": "Sr2 Zr2 O6",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6253502619999998,
"spacegroup": 127
},
{
"id": "jvasp-108576",
"created_at": "2022-09-04T14:38:20.337813Z",
"updated_at": "2022-09-04T14:38:20.337834Z",
"structure_string": "K3 Au1 F6\n1.0\n5.586872 -0.000000 3.225582\n1.862291 5.267353 3.225582\n-0.000000 -0.000000 6.451164\nK Au F\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.767140 0.232859 0.232859 F\n0.232859 0.232859 0.767140 F\n0.232859 0.767140 0.767140 F\n0.232859 0.767140 0.232859 F\n0.767140 0.232859 0.767140 F\n0.767140 0.767140 0.232859 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Au",
"F"
],
"chemical_system": "Au-F-K",
"density": 3.7458394198694047,
"density_atomic": 0.05267454243674213,
"volume": 189.84502830772934,
"volume_molar": 11.432734830553304,
"formula_full": "K3 Au1 F6",
"formula_reduced": "K3AuF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109412",
"created_at": "2022-09-04T14:38:17.125600Z",
"updated_at": "2022-09-04T14:38:17.125619Z",
"structure_string": "Ce2 Ga5 Au3\n1.0\n4.306210 0.000000 0.000000\n0.000000 4.306210 0.000000\n-0.000000 -0.000000 11.284563\nCe Ga Au\n2 5 3\ndirect\n0.500000 0.000000 0.248779 Ce\n-0.000000 0.500000 0.751220 Ce\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.871668 Ga\n-0.000000 0.500000 0.128332 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.652257 Au\n-0.000000 0.500000 0.347743 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Au"
],
"chemical_system": "Au-Ce-Ga",
"density": 9.679292097126126,
"density_atomic": 0.0477886590319714,
"volume": 209.254668420594,
"volume_molar": 12.601610679159439,
"formula_full": "Ce2 Ga5 Au3",
"formula_reduced": "Ce2Ga5Au3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.3615255334999998,
"spacegroup": 115
}
]
}