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=volume&page=3826",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3824",
"results": [
{
"id": "jvasp-86716",
"created_at": "2022-09-04T14:36:05.368052Z",
"updated_at": "2022-09-04T14:36:05.368078Z",
"structure_string": "Ba2 Cu4 P8\n1.0\n5.296645 -0.000000 1.517275\n2.648321 5.166906 0.758638\n0.016128 -0.000000 9.947344\nBa Cu P\n2 4 8\ndirect\n0.125000 0.750001 0.750000 Ba\n0.874999 0.250000 0.250001 Ba\n0.253077 0.250000 0.493844 Cu\n0.746922 0.750001 0.506156 Cu\n0.496922 0.250000 0.006156 Cu\n0.503077 0.750001 0.993844 Cu\n0.828320 0.370143 0.858543 P\n0.313137 0.129857 0.858542 P\n0.442994 0.870144 0.358543 P\n0.557005 0.129857 0.641458 P\n0.198463 0.629858 0.358543 P\n0.686862 0.870144 0.141458 P\n0.801536 0.370143 0.641458 P\n0.171679 0.629858 0.141458 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"P"
],
"chemical_system": "Ba-Cu-P",
"density": 4.739422060612653,
"density_atomic": 0.05145069267734908,
"volume": 272.10518015364704,
"volume_molar": 11.704683545788722,
"formula_full": "Ba2 Cu4 P8",
"formula_reduced": "Ba(CuP2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6901026957142855,
"spacegroup": 70
},
{
"id": "jvasp-86115",
"created_at": "2022-09-04T14:36:18.758796Z",
"updated_at": "2022-09-04T14:36:18.758806Z",
"structure_string": "Ba2 Cu4 P8\n1.0\n5.296653 -0.000000 1.517277\n2.648325 5.166917 0.758639\n0.016138 -0.000000 9.947325\nBa Cu P\n2 4 8\ndirect\n0.125001 0.750000 0.750000 Ba\n0.875000 0.250000 0.250000 Ba\n0.253076 0.250000 0.493848 Cu\n0.746925 0.750000 0.506153 Cu\n0.496924 0.250000 0.006152 Cu\n0.503076 0.750000 0.993848 Cu\n0.828321 0.370147 0.858543 P\n0.313137 0.129853 0.858543 P\n0.442992 0.870147 0.358543 P\n0.557009 0.129853 0.641458 P\n0.198468 0.629853 0.358543 P\n0.686863 0.870147 0.141458 P\n0.801533 0.370147 0.641458 P\n0.171680 0.629853 0.141458 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"P"
],
"chemical_system": "Ba-Cu-P",
"density": 4.739415234180025,
"density_atomic": 0.05145061857027806,
"volume": 272.1055720812559,
"volume_molar": 11.704700404668923,
"formula_full": "Ba2 Cu4 P8",
"formula_reduced": "Ba(CuP2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6901026957142855,
"spacegroup": 70
},
{
"id": "jvasp-32164",
"created_at": "2022-09-04T14:37:47.780530Z",
"updated_at": "2022-09-04T14:37:47.780557Z",
"structure_string": "Pb4 C4 O12\n1.0\n5.229115 0.000000 0.000000\n-0.000000 6.080136 0.000000\n0.000000 0.000000 8.559078\nPb C O\n4 4 12\ndirect\n0.749999 0.744580 0.416707 Pb\n0.749999 0.244580 0.083293 Pb\n0.250000 0.755421 0.916707 Pb\n0.250000 0.255420 0.583293 Pb\n0.250000 0.910585 0.261397 C\n0.749999 0.589416 0.761398 C\n0.250000 0.410585 0.238603 C\n0.749999 0.089415 0.738603 C\n0.964958 0.591188 0.685104 O\n0.035041 0.908813 0.185104 O\n0.535041 0.091187 0.814896 O\n0.749999 0.599411 0.912895 O\n0.749999 0.099411 0.587106 O\n0.250000 0.900590 0.412895 O\n0.535041 0.591188 0.685104 O\n0.035041 0.408813 0.314896 O\n0.964958 0.091187 0.814896 O\n0.464958 0.908813 0.185104 O\n0.464958 0.408813 0.314896 O\n0.250000 0.400590 0.087105 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"C",
"O"
],
"chemical_system": "C-O-Pb",
"density": 6.522161329493107,
"density_atomic": 0.07349563131918446,
"volume": 272.12501805912683,
"volume_molar": 8.19387581534802,
"formula_full": "Pb4 C4 O12",
"formula_reduced": "PbCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.581810264,
"spacegroup": 62
},
{
"id": "jvasp-12297",
"created_at": "2022-09-04T14:38:12.174720Z",
"updated_at": "2022-09-04T14:38:12.174747Z",
"structure_string": "Ba2 Pr4 Cu2 O10\n1.0\n6.798619 -0.000000 -0.000000\n0.000000 6.798619 0.000000\n0.000000 0.000000 5.887822\nBa Pr Cu O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.327739 0.827739 0.500000 Pr\n0.827739 0.672261 0.500000 Pr\n0.172261 0.327739 0.500000 Pr\n0.672261 0.172261 0.500000 Pr\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.860870 0.360870 0.758765 O\n0.360870 0.139131 0.758765 O\n0.639131 0.860870 0.758765 O\n0.139131 0.639131 0.758765 O\n0.139131 0.639131 0.241234 O\n0.360870 0.139131 0.241234 O\n0.860870 0.360870 0.241234 O\n0.000000 0.000000 0.500000 O\n0.639131 0.860870 0.241234 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Pr",
"density": 6.866708055069277,
"density_atomic": 0.06614186336797698,
"volume": 272.14231779134934,
"volume_molar": 9.104885247178656,
"formula_full": "Ba2 Pr4 Cu2 O10",
"formula_reduced": "BaPr2CuO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6304581800000002,
"spacegroup": 127
},
{
"id": "jvasp-64332",
"created_at": "2022-09-04T14:35:53.314307Z",
"updated_at": "2022-09-04T14:35:53.314332Z",
"structure_string": "Ba4 La1 Zr1\n1.0\n0.000000 5.143498 5.143498\n5.143498 0.000000 5.143498\n5.143498 5.143498 0.000000\nBa La Zr\n4 1 1\ndirect\n0.117919 0.627360 0.627360 Ba\n0.627360 0.627360 0.627360 Ba\n0.627360 0.117919 0.627360 Ba\n0.627360 0.627360 0.117919 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"La",
"Zr"
],
"chemical_system": "Ba-La-Zr",
"density": 4.7558117523294055,
"density_atomic": 0.022046798297100625,
"volume": 272.1483600087665,
"volume_molar": 27.31526219293244,
"formula_full": "Ba4 La1 Zr1",
"formula_reduced": "Ba4LaZr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0869655633333333,
"spacegroup": 216
},
{
"id": "jvasp-119595",
"created_at": "2022-09-04T14:38:53.265970Z",
"updated_at": "2022-09-04T14:38:53.265987Z",
"structure_string": "Bi4 C4 O12\n1.0\n5.099046 0.022111 0.007441\n-0.027258 6.382827 -2.024655\n-0.007450 -1.181940 8.736648\nBi C O\n4 4 12\ndirect\n0.749971 0.742146 0.164399 Bi\n0.249973 0.742169 0.664412 Bi\n0.750027 0.257831 0.335589 Bi\n0.250029 0.257854 0.835602 Bi\n0.749997 0.753034 0.834021 C\n0.249994 0.752989 0.334011 C\n0.750006 0.247012 0.665990 C\n0.250004 0.246967 0.165980 C\n0.250000 0.248451 0.313402 O\n0.749997 0.248513 0.813417 O\n0.529929 0.248282 0.592884 O\n0.970087 0.248270 0.592880 O\n0.029913 0.751731 0.407121 O\n0.970077 0.751752 0.907123 O\n0.250003 0.751488 0.186584 O\n0.750001 0.751549 0.686599 O\n0.029924 0.248248 0.092878 O\n0.529915 0.751764 0.907130 O\n0.470071 0.751718 0.407116 O\n0.470085 0.248236 0.092871 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Bi",
"C",
"O"
],
"chemical_system": "Bi-C-O",
"density": 6.565018247485239,
"density_atomic": 0.07348891571521103,
"volume": 272.14988553519123,
"volume_molar": 8.194624592554046,
"formula_full": "Bi4 C4 O12",
"formula_reduced": "BiCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.75267296,
"spacegroup": 166
},
{
"id": "jvasp-122023",
"created_at": "2022-09-04T14:38:54.551016Z",
"updated_at": "2022-09-04T14:38:54.551044Z",
"structure_string": "Mn2 V2 P4 O16\n1.0\n4.779385 0.016395 -0.000008\n-0.245145 9.806703 0.000027\n0.000012 -0.000017 5.805997\nMn V P O\n2 2 4 16\ndirect\n0.929474 0.276598 0.250000 Mn\n0.070525 0.723402 0.750001 Mn\n0.436945 0.223515 0.750000 V\n0.563055 0.776484 0.250000 V\n0.396058 0.088063 0.250000 P\n0.603940 0.911937 0.750001 P\n0.876790 0.408207 0.750000 P\n0.123209 0.591791 0.250000 P\n0.717019 0.333424 0.545860 O\n0.717018 0.333424 0.954141 O\n0.743349 0.837480 0.961328 O\n0.743349 0.837481 0.538673 O\n0.256651 0.162518 0.461324 O\n0.256652 0.162518 0.038677 O\n0.831072 0.560948 0.750000 O\n0.287095 0.890689 0.750001 O\n0.811992 0.622202 0.250000 O\n0.188010 0.377797 0.750001 O\n0.282981 0.666574 0.045862 O\n0.712902 0.109310 0.250000 O\n0.321883 0.935559 0.250000 O\n0.678117 0.064441 0.750000 O\n0.168925 0.439051 0.250000 O\n0.282981 0.666574 0.454138 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Mn-O-P-V",
"density": 3.609947378594757,
"density_atomic": 0.08818651008698761,
"volume": 272.1504680968357,
"volume_molar": 6.828868444912642,
"formula_full": "Mn2 V2 P4 O16",
"formula_reduced": "MnV(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.255017536781609,
"spacegroup": 11
},
{
"id": "jvasp-23787",
"created_at": "2022-09-04T14:37:58.286062Z",
"updated_at": "2022-09-04T14:37:58.286097Z",
"structure_string": "Sr3 Sn4 Ir4\n1.0\n6.666619 0.000000 -2.357006\n-3.333310 5.773461 -2.357006\n0.000000 0.000000 7.071017\nSr Sn Ir\n3 4 4\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000001 Sr\n-0.000000 0.386305 -0.000000 Sn\n0.386306 -0.000000 -0.000000 Sn\n0.000000 0.000000 0.386306 Sn\n0.613695 0.613694 0.613694 Sn\n0.000000 0.000000 0.750109 Ir\n0.750109 -0.000000 -0.000000 Ir\n0.249891 0.249891 0.249891 Ir\n-0.000000 0.750109 -0.000001 Ir\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"Ir"
],
"chemical_system": "Ir-Sn-Sr",
"density": 9.19208607666476,
"density_atomic": 0.04041745203397743,
"volume": 272.15965991009807,
"volume_molar": 14.89985255611218,
"formula_full": "Sr3 Sn4 Ir4",
"formula_reduced": "Sr3(SnIr)4",
"formula_anonymous": "A3B4C4",
"energy_above_hull": 1.983798193636364,
"spacegroup": 217
},
{
"id": "jvasp-9403",
"created_at": "2022-09-04T14:37:06.456492Z",
"updated_at": "2022-09-04T14:37:06.456517Z",
"structure_string": "K4 Sb2 F10\n1.0\n5.736147 0.000000 -2.623291\n-0.000000 6.557540 -0.000000\n-0.131457 -0.000000 7.295592\nK Sb F\n4 2 10\ndirect\n0.755670 0.750000 0.511341 K\n0.244329 0.250000 0.488659 K\n0.556219 0.250000 0.112436 K\n0.443781 0.750000 0.887564 K\n0.087921 0.750000 0.175843 Sb\n0.912079 0.250000 0.824157 Sb\n0.355952 0.530078 0.234160 F\n0.121793 0.469922 0.765840 F\n0.644048 0.030078 0.765840 F\n0.878207 0.969922 0.234160 F\n0.644048 0.469922 0.765840 F\n0.878207 0.530078 0.234160 F\n0.761384 0.250000 0.522769 F\n0.238615 0.750000 0.477231 F\n0.121793 0.030078 0.765840 F\n0.355952 0.969922 0.234160 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sb",
"F"
],
"chemical_system": "F-K-Sb",
"density": 3.599128001636641,
"density_atomic": 0.05878842420905909,
"volume": 272.1624233897131,
"volume_molar": 10.243752645222306,
"formula_full": "K4 Sb2 F10",
"formula_reduced": "K2SbF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-64777",
"created_at": "2022-09-04T14:36:19.088861Z",
"updated_at": "2022-09-04T14:36:19.088890Z",
"structure_string": "Ba4 La1 Ga1\n1.0\n0.000000 5.143648 5.143648\n5.143648 0.000000 5.143648\n5.143648 5.143648 -0.000000\nBa La Ga\n4 1 1\ndirect\n0.128025 0.623992 0.623992 Ba\n0.623992 0.623992 0.623992 Ba\n0.623992 0.128025 0.623992 Ba\n0.623992 0.623992 0.128025 Ba\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"La",
"Ga"
],
"chemical_system": "Ba-Ga-La",
"density": 4.624216778362432,
"density_atomic": 0.02204486955510336,
"volume": 272.1721707176538,
"volume_molar": 27.317652050274354,
"formula_full": "Ba4 La1 Ga1",
"formula_reduced": "Ba4LaGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1615002008333332,
"spacegroup": 216
},
{
"id": "jvasp-59225",
"created_at": "2022-09-04T14:38:35.848033Z",
"updated_at": "2022-09-04T14:38:35.848055Z",
"structure_string": "Li6 V2 P4 O16\n1.0\n0.000000 6.135118 0.012766\n5.424656 0.000000 0.000000\n0.000000 -0.064561 -8.178404\nLi V P O\n6 2 4 16\ndirect\n0.729308 0.750001 0.922234 Li\n0.500009 0.250000 0.749992 Li\n0.270666 0.750001 0.577768 Li\n0.729334 0.250000 0.422231 Li\n0.499991 0.750001 0.250007 Li\n0.270693 0.250000 0.077765 Li\n0.000001 0.250000 0.750001 V\n1.000000 0.750001 0.249998 V\n0.761655 0.250000 0.100667 P\n0.238361 0.250000 0.399332 P\n0.761639 0.750001 0.600668 P\n0.238346 0.750001 0.899332 P\n0.768751 0.479602 0.218732 O\n0.768751 0.020398 0.218732 O\n0.231254 0.479605 0.281267 O\n0.231254 0.020396 0.281267 O\n0.969136 0.750001 0.492866 O\n0.030845 0.750001 0.007128 O\n0.442185 0.250000 0.504200 O\n0.557838 0.250000 0.995789 O\n0.768746 0.979605 0.718732 O\n0.969156 0.250000 0.992872 O\n0.231249 0.979603 0.781267 O\n0.231249 0.520398 0.781267 O\n0.442163 0.750001 0.004210 O\n0.768746 0.520396 0.718732 O\n0.030864 0.250000 0.507133 O\n0.557816 0.750001 0.495799 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.193289216411068,
"density_atomic": 0.10287301819902556,
"volume": 272.18021294786143,
"volume_molar": 5.853955551638558,
"formula_full": "Li6 V2 P4 O16",
"formula_reduced": "Li3V(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6208645142857145,
"spacegroup": 12
},
{
"id": "jvasp-44594",
"created_at": "2022-09-04T14:38:32.350289Z",
"updated_at": "2022-09-04T14:38:32.350318Z",
"structure_string": "Cr6 W2 O16\n1.0\n2.941359 -5.094582 -0.000000\n2.941359 5.094582 0.000000\n0.000000 0.000000 9.082117\nCr W O\n6 2 16\ndirect\n0.829991 0.659983 0.785316 Cr\n0.829991 0.170009 0.785316 Cr\n0.340018 0.170009 0.785316 Cr\n0.659983 0.829991 0.285316 Cr\n0.170009 0.829991 0.285316 Cr\n0.170009 0.340018 0.285316 Cr\n0.666667 0.333333 0.504356 W\n0.333333 0.666667 0.004356 W\n0.173092 0.826909 0.903138 O\n0.333333 0.666667 0.393241 O\n0.477393 0.522608 0.159491 O\n0.477393 0.954784 0.159491 O\n0.346183 0.173092 0.403138 O\n0.653817 0.826909 0.903138 O\n0.522608 0.045216 0.659491 O\n0.000000 0.000000 0.700704 O\n0.826909 0.173092 0.403138 O\n0.000000 0.000000 0.200704 O\n0.045216 0.522608 0.159491 O\n0.666667 0.333333 0.893241 O\n0.954784 0.477393 0.659491 O\n0.826909 0.653817 0.403138 O\n0.522608 0.477393 0.659491 O\n0.173092 0.346183 0.903138 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"W",
"O"
],
"chemical_system": "Cr-O-W",
"density": 5.708045779648038,
"density_atomic": 0.08817339486736406,
"volume": 272.1909487108022,
"volume_molar": 6.829884194726631,
"formula_full": "Cr6 W2 O16",
"formula_reduced": "Cr3WO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 4.050169183333334,
"spacegroup": 186
}
]
}