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=1519",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1517",
"results": [
{
"id": "jvasp-4837",
"created_at": "2022-09-04T14:36:06.583225Z",
"updated_at": "2022-09-04T14:36:06.583245Z",
"structure_string": "Ga4 O6\n1.0\n2.816710 0.000000 0.000000\n-1.408355 4.684125 0.000000\n0.000000 0.000000 7.230610\nGa O\n4 6\ndirect\n0.751821 0.503641 0.250000 Ga\n0.248181 0.496360 0.750000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.637655 0.275309 0.925331 O\n0.362347 0.724692 0.074669 O\n0.362347 0.724692 0.425331 O\n0.637655 0.275309 0.574669 O\n0.894301 0.788600 0.750000 O\n0.105701 0.211401 0.250000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ga",
"O"
],
"chemical_system": "Ga-O",
"density": 6.525376141715026,
"density_atomic": 0.10482248490733165,
"volume": 95.39937933011704,
"volume_molar": 5.745084907425993,
"formula_full": "Ga4 O6",
"formula_reduced": "Ga2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.00470103,
"spacegroup": 63
},
{
"id": "jvasp-106172",
"created_at": "2022-09-04T14:36:06.632225Z",
"updated_at": "2022-09-04T14:36:06.632245Z",
"structure_string": "Cr1 P2 O7\n1.0\n4.993667 0.022139 0.724508\n-0.978261 4.896959 0.724508\n0.001212 0.001485 4.484323\nCr P O\n1 2 7\ndirect\n0.888970 0.111031 0.000000 Cr\n0.332961 0.263265 0.409198 P\n0.736736 0.667040 0.590802 P\n0.850817 0.428191 0.731972 O\n0.141469 0.332183 0.185645 O\n0.188454 0.073958 0.708751 O\n0.667817 0.858532 0.814355 O\n0.448415 0.551586 0.500000 O\n0.926044 0.811546 0.291250 O\n0.571810 0.149184 0.268028 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.418661325791986,
"density_atomic": 0.09112026293296302,
"volume": 109.74507401670887,
"volume_molar": 6.609002834452395,
"formula_full": "Cr1 P2 O7",
"formula_reduced": "CrP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.0960502900000004,
"spacegroup": 5
},
{
"id": "jvasp-105679",
"created_at": "2022-09-04T14:36:03.103722Z",
"updated_at": "2022-09-04T14:36:03.103746Z",
"structure_string": "Rb2 In1 Sb1 Br6\n1.0\n7.093599 0.000000 4.095491\n2.364533 6.687910 4.095491\n0.000000 0.000000 8.190984\nRb In Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.757258 0.242742 0.242742 Br\n0.242742 0.242742 0.757257 Br\n0.242742 0.757258 0.757257 Br\n0.242742 0.757258 0.242742 Br\n0.757258 0.242742 0.757257 Br\n0.757258 0.757258 0.242742 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Sb",
"Br"
],
"chemical_system": "Br-In-Rb-Sb",
"density": 3.790085714783425,
"density_atomic": 0.02573397460517925,
"volume": 388.5913526155182,
"volume_molar": 23.40151823569445,
"formula_full": "Rb2 In1 Sb1 Br6",
"formula_reduced": "Rb2InSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-97790",
"created_at": "2022-09-04T14:36:05.428336Z",
"updated_at": "2022-09-04T14:36:05.428362Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n4.525645 0.023035 3.101480\n1.646552 4.215550 3.101480\n0.033543 0.023035 5.486303\nTi Fe O\n2 2 6\ndirect\n0.293092 0.293094 0.293092 Ti\n0.793091 0.793095 0.793091 Ti\n0.000367 0.000367 0.000367 Fe\n0.500367 0.500368 0.500366 Fe\n0.573695 0.192932 0.916915 O\n0.192928 0.916917 0.573696 O\n0.916916 0.573696 0.192930 O\n0.416916 0.692930 0.073695 O\n0.073695 0.416916 0.692930 O\n0.692931 0.073698 0.416914 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.853112402451414,
"density_atomic": 0.0963222183536905,
"volume": 103.8182069611446,
"volume_molar": 6.252078557708246,
"formula_full": "Ti2 Fe2 O6",
"formula_reduced": "TiFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6100888666666666,
"spacegroup": 161
},
{
"id": "jvasp-108157",
"created_at": "2022-09-04T14:36:10.581190Z",
"updated_at": "2022-09-04T14:36:10.581212Z",
"structure_string": "Ba1 La1 Mn2 O6\n1.0\n4.797501 0.000000 2.769838\n1.599167 4.523127 2.769838\n-0.000000 -0.000000 5.539677\nBa La Mn O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 La\n0.750000 0.750001 0.750001 Mn\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500001 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Mn",
"O"
],
"chemical_system": "Ba-La-Mn-O",
"density": 6.659665221761599,
"density_atomic": 0.08318819493950974,
"volume": 120.20936392803685,
"volume_molar": 7.239177102447044,
"formula_full": "Ba1 La1 Mn2 O6",
"formula_reduced": "BaLaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.677933645275862,
"spacegroup": 225
},
{
"id": "jvasp-88680",
"created_at": "2022-09-04T14:36:03.288102Z",
"updated_at": "2022-09-04T14:36:03.288127Z",
"structure_string": "Ba2 La1 Nb1 O6\n1.0\n-3.095290 -3.067530 -4.309570\n3.095290 -3.067530 4.309570\n-3.127500 3.067530 4.366550\nBa La Nb O\n2 1 1 6\ndirect\n0.006979 0.752143 0.759122 Ba\n0.993021 0.247857 0.240878 Ba\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 -0.000000 Nb\n0.427266 0.271950 0.699216 O\n0.572734 0.728050 0.300784 O\n0.040255 0.307289 0.813479 O\n0.493810 0.226775 0.186521 O\n0.959745 0.692711 0.186521 O\n0.506190 0.773225 0.813479 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O",
"density": 6.040796234076143,
"density_atomic": 0.060383078336702554,
"volume": 165.609311009931,
"volume_molar": 9.973225820684222,
"formula_full": "Ba2 La1 Nb1 O6",
"formula_reduced": "Ba2LaNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.235260734,
"spacegroup": 12
},
{
"id": "jvasp-91302",
"created_at": "2022-09-04T14:36:03.324477Z",
"updated_at": "2022-09-04T14:36:03.324503Z",
"structure_string": "Pr4 In2 Pd4\n1.0\n3.915877 -0.000000 0.000000\n-0.000000 7.891371 0.000000\n0.000000 -0.000000 7.891371\nPr In Pd\n4 2 4\ndirect\n0.500000 0.824437 0.324437 Pr\n0.500000 0.675563 0.824437 Pr\n0.500000 0.324437 0.175563 Pr\n0.500000 0.175563 0.675563 Pr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.126506 0.373494 Pd\n0.000000 0.373494 0.873494 Pd\n0.000000 0.626506 0.126506 Pd\n0.000000 0.873494 0.626506 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"In",
"Pd"
],
"chemical_system": "In-Pd-Pr",
"density": 8.300415120545379,
"density_atomic": 0.041007758862964816,
"volume": 243.85629152319424,
"volume_molar": 14.685369127642705,
"formula_full": "Pr4 In2 Pd4",
"formula_reduced": "Pr2InPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.160416214,
"spacegroup": 127
},
{
"id": "jvasp-106012",
"created_at": "2022-09-04T14:36:02.733434Z",
"updated_at": "2022-09-04T14:36:02.733454Z",
"structure_string": "Pr2 Ga5 Cu3\n1.0\n4.255500 0.000000 0.000000\n0.000000 4.255500 0.000000\n0.000000 0.000000 10.255638\nPr Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.743939 Pr\n0.000000 0.500000 0.256061 Pr\n0.000000 0.500000 0.863594 Ga\n0.500000 0.000000 0.381026 Ga\n0.500000 0.000000 0.136406 Ga\n0.000000 0.500000 0.618975 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Pr",
"density": 7.341156964358652,
"density_atomic": 0.05384385269276619,
"volume": 185.72222268454945,
"volume_molar": 11.184453672664219,
"formula_full": "Pr2 Ga5 Cu3",
"formula_reduced": "Pr2Ga5Cu3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-86168",
"created_at": "2022-09-04T14:36:03.332000Z",
"updated_at": "2022-09-04T14:36:03.332026Z",
"structure_string": "Rb2 Cr2 Cl6\n1.0\n6.164309 0.022613 -0.272367\n-0.174876 6.004180 -3.459372\n0.043373 0.013044 6.965064\nRb Cr Cl\n2 2 6\ndirect\n0.756707 0.333368 0.666736 Rb\n0.243292 0.666631 0.333262 Rb\n0.500000 -0.000000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.224657 0.675587 0.838270 Cl\n0.224657 0.162682 0.838269 Cl\n0.303502 0.166963 0.333927 Cl\n0.775342 0.324412 0.161729 Cl\n0.775342 0.837316 0.161729 Cl\n0.696497 0.833036 0.666071 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Rb",
"density": 3.136613353191904,
"density_atomic": 0.0387353425973215,
"volume": 258.1621674024251,
"volume_molar": 15.546889110040873,
"formula_full": "Rb2 Cr2 Cl6",
"formula_reduced": "RbCrCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5972019204999998,
"spacegroup": 12
},
{
"id": "jvasp-86563",
"created_at": "2022-09-04T14:36:04.124714Z",
"updated_at": "2022-09-04T14:36:04.124749Z",
"structure_string": "Sr2 Ni1 Te1 O6\n1.0\n4.956259 -0.029385 2.344290\n1.155495 4.765341 3.789200\n-0.011806 -0.026826 6.196988\nSr Ni Te O\n2 1 1 6\ndirect\n0.182358 0.304315 0.304323 Sr\n0.817644 0.695690 0.695671 Sr\n0.499997 -0.000007 0.000007 Ni\n-0.000001 0.000004 -0.000001 Te\n0.267794 0.746324 0.232340 O\n0.732197 0.253668 0.767667 O\n0.166612 0.799121 0.799129 O\n0.732202 0.767659 0.253672 O\n0.267792 0.232343 0.746332 O\n0.833399 0.200883 0.200863 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"Te",
"O"
],
"chemical_system": "Ni-O-Sr-Te",
"density": 5.163533869533427,
"density_atomic": 0.06796393981791726,
"volume": 147.1368497292988,
"volume_molar": 8.860788200528054,
"formula_full": "Sr2 Ni1 Te1 O6",
"formula_reduced": "Sr2NiTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6421243786666668,
"spacegroup": 12
},
{
"id": "jvasp-105621",
"created_at": "2022-09-04T14:36:02.679616Z",
"updated_at": "2022-09-04T14:36:02.679638Z",
"structure_string": "K3 V1 F6\n1.0\n5.400070 -0.000000 3.117732\n1.800024 5.091234 3.117732\n-0.000000 -0.000000 6.235464\nK V F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.779266 0.220734 0.220734 F\n0.220734 0.779265 0.779265 F\n0.220734 0.779265 0.220734 F\n0.779266 0.220734 0.779265 F\n0.220734 0.220734 0.779265 F\n0.779265 0.779265 0.220734 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"V",
"F"
],
"chemical_system": "F-K-V",
"density": 2.7337333730028037,
"density_atomic": 0.05833225639181814,
"volume": 171.431736376353,
"volume_molar": 10.3238604718961,
"formula_full": "K3 V1 F6",
"formula_reduced": "K3VF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-63745",
"created_at": "2022-09-04T14:36:07.548425Z",
"updated_at": "2022-09-04T14:36:07.548436Z",
"structure_string": "Pr2 Ni4 As4\n1.0\n4.254708 0.000000 0.000000\n0.000000 4.254708 0.000000\n0.000000 0.000000 9.482237\nPr Ni As\n2 4 4\ndirect\n0.000000 0.500000 0.752942 Pr\n0.500000 0.000000 0.247058 Pr\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.381995 Ni\n0.500000 0.000000 0.618006 Ni\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.128241 As\n0.500000 0.000000 0.871759 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"As"
],
"chemical_system": "As-Ni-Pr",
"density": 7.896514314901051,
"density_atomic": 0.058257208976092635,
"volume": 171.6525761490524,
"volume_molar": 10.337159753862123,
"formula_full": "Pr2 Ni4 As4",
"formula_reduced": "Pr(NiAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.62640763,
"spacegroup": 129
}
]
}