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=-density_atomic&page=249",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=247",
"results": [
{
"id": "jvasp-48242",
"created_at": "2022-09-04T14:35:53.461146Z",
"updated_at": "2022-09-04T14:35:53.461167Z",
"structure_string": "Li3 Ti2 Ni2 O8\n1.0\n5.850250 0.008075 0.004547\n-0.008048 5.816963 -0.008610\n-2.896699 -2.906344 4.211739\nLi Ti Ni O\n3 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000001 0.000000 Ti\n0.500000 0.000001 0.500000 Ni\n0.500000 0.500001 0.500000 Ni\n0.750872 0.763014 0.525821 O\n0.709986 0.233639 0.467408 O\n0.249850 0.224592 0.993500 O\n0.249755 0.768842 0.993331 O\n0.750245 0.231159 0.006670 O\n0.750150 0.775410 0.006501 O\n0.290014 0.766362 0.532593 O\n0.249128 0.236987 0.474180 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 4.1952903393436225,
"density_atomic": 0.10470533278256713,
"volume": 143.25917889157807,
"volume_molar": 5.751512936314026,
"formula_full": "Li3 Ti2 Ni2 O8",
"formula_reduced": "Li3Ti2(NiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.427816631111111,
"spacegroup": 12
},
{
"id": "jvasp-30462",
"created_at": "2022-09-04T14:38:05.293862Z",
"updated_at": "2022-09-04T14:38:05.293890Z",
"structure_string": "C12 N16\n1.0\n7.133442 -0.000085 0.000000\n-3.566794 6.177699 0.000000\n0.000000 0.000000 6.068414\nC N\n12 16\ndirect\n0.251735 0.105374 0.000000 C\n0.224885 0.132224 0.500000 C\n0.214462 0.448450 0.500000 C\n0.551347 0.448654 0.500000 C\n0.551551 0.785539 0.500000 C\n0.867777 0.775116 0.500000 C\n0.225503 0.774498 0.500000 C\n0.905050 0.432039 0.000000 C\n0.894009 0.105992 0.000000 C\n0.568166 0.431835 0.000000 C\n0.567961 0.094950 0.000000 C\n0.894627 0.748266 0.000000 C\n0.106289 0.893712 0.500000 N\n0.110973 0.559248 0.500000 N\n0.440753 0.889028 0.500000 N\n0.439094 0.560907 0.500000 N\n0.767263 0.889137 0.500000 N\n0.766475 0.559009 0.500000 N\n0.678520 0.646964 0.000000 N\n0.353037 0.321481 0.000000 N\n0.008539 0.321241 0.000000 N\n0.678760 0.991462 0.000000 N\n0.680418 0.319583 0.000000 N\n0.352249 0.991353 0.000000 N\n0.110864 0.232738 0.500000 N\n0.013223 0.986777 0.000000 N\n0.008648 0.647752 0.000000 N\n0.440992 0.233526 0.500000 N\n",
"nsites": 28,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.286529336115146,
"density_atomic": 0.104703196139638,
"volume": 267.42259102250944,
"volume_molar": 5.75163030550523,
"formula_full": "C12 N16",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 6.352041857142856,
"spacegroup": 63
},
{
"id": "jvasp-106862",
"created_at": "2022-09-04T14:36:58.102693Z",
"updated_at": "2022-09-04T14:36:58.102724Z",
"structure_string": "Mn2 Co1 N2\n1.0\n2.980589 0.023830 -0.609576\n-2.135089 2.834422 0.000000\n0.043273 0.032596 5.604954\nMn Co N\n2 1 2\ndirect\n0.733372 0.366686 0.160188 Mn\n0.266628 0.633315 0.839811 Mn\n0.000000 0.000001 0.500000 Co\n0.506074 0.253038 0.800448 N\n0.493926 0.746963 0.199551 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Co",
"N"
],
"chemical_system": "Co-Mn-N",
"density": 6.844013202143981,
"density_atomic": 0.10470238956666156,
"volume": 47.75440198350599,
"volume_molar": 5.751674613085926,
"formula_full": "Mn2 Co1 N2",
"formula_reduced": "Mn2CoN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.671524376551724,
"spacegroup": 12
},
{
"id": "jvasp-117298",
"created_at": "2022-09-04T14:38:26.288360Z",
"updated_at": "2022-09-04T14:38:26.288379Z",
"structure_string": "Mn8 O13 F3\n1.0\n4.350009 0.002833 0.111421\n0.149179 7.237353 0.790662\n-0.046168 0.026119 7.282996\nMn O F\n8 13 3\ndirect\n0.501560 0.698428 0.949784 Mn\n0.520334 0.292406 0.063940 Mn\n0.483664 0.185078 0.445167 Mn\n0.499307 0.801154 0.554985 Mn\n0.018385 0.950336 0.208211 Mn\n0.010171 0.562003 0.292867 Mn\n0.991035 0.454085 0.694441 Mn\n0.013678 0.062293 0.793516 Mn\n0.766957 0.770192 0.347680 O\n0.761227 0.268955 0.846118 O\n0.728991 0.017030 0.599593 O\n0.737234 0.517699 0.098531 O\n0.724436 0.649071 0.731555 O\n0.743334 0.148831 0.239672 O\n0.229376 0.599816 0.514097 O\n0.265352 0.979871 0.403966 O\n0.263554 0.346510 0.268395 O\n0.227224 0.234271 0.642855 O\n0.233770 0.733199 0.150756 O\n0.242826 0.097591 0.020451 O\n0.262073 0.850593 0.770228 O\n0.744701 0.400620 0.469147 F\n0.257142 0.466200 0.908827 F\n0.773669 0.913762 0.985224 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.103285812226183,
"density_atomic": 0.10469745198973318,
"volume": 229.2319396880211,
"volume_molar": 5.751945864537889,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.363109344938937,
"spacegroup": 1
},
{
"id": "jvasp-42660",
"created_at": "2022-09-04T14:35:50.764857Z",
"updated_at": "2022-09-04T14:35:50.764881Z",
"structure_string": "Li2 Ti1 Fe3 O8\n1.0\n5.751930 0.013534 0.009570\n2.887687 4.974551 0.009570\n2.887687 1.667206 4.686862\nLi Ti Fe O\n2 1 3 8\ndirect\n0.123426 0.123426 0.123426 Li\n0.876575 0.876574 0.876574 Li\n0.500001 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.263868 0.263868 0.263868 O\n0.257632 0.257632 0.716569 O\n0.257632 0.716569 0.257632 O\n0.716570 0.257632 0.257632 O\n0.283432 0.742368 0.742368 O\n0.742369 0.283431 0.742368 O\n0.742369 0.742368 0.283431 O\n0.736133 0.736132 0.736132 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.436024870950384,
"density_atomic": 0.10468035272061273,
"volume": 133.74047408270954,
"volume_molar": 5.7528854302514905,
"formula_full": "Li2 Ti1 Fe3 O8",
"formula_reduced": "Li2TiFe3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9271837738095243,
"spacegroup": 166
},
{
"id": "jvasp-48611",
"created_at": "2022-09-04T14:36:46.343945Z",
"updated_at": "2022-09-04T14:36:46.343955Z",
"structure_string": "Li7 Mn1 O3 F3\n1.0\n5.278955 0.053137 -0.056603\n2.523964 5.006111 -0.064503\n2.111085 1.756440 5.051490\nLi Mn O F\n7 1 3 3\ndirect\n0.552801 0.853576 0.365867 Li\n0.115091 0.778806 0.651349 Li\n0.620591 0.697042 0.004753 Li\n0.397080 0.250688 0.997694 Li\n0.876980 0.223912 0.397628 Li\n0.217390 0.547855 0.333220 Li\n0.479971 0.114134 0.620863 Li\n0.945719 0.076110 0.002412 Mn\n0.229658 0.920999 0.239831 O\n0.768785 0.040624 0.775637 O\n0.571595 0.252582 0.246295 O\n0.442107 0.762605 0.727259 F\n0.892408 0.578521 0.249207 F\n0.154547 0.410079 0.726758 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.5886813819694763,
"density_atomic": 0.10466778674542522,
"volume": 133.75653040272113,
"volume_molar": 5.7535760975314725,
"formula_full": "Li7 Mn1 O3 F3",
"formula_reduced": "Li7Mn(OF)3",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 1.2353734706342363,
"spacegroup": 1
},
{
"id": "jvasp-47704",
"created_at": "2022-09-04T14:37:28.609416Z",
"updated_at": "2022-09-04T14:37:28.609441Z",
"structure_string": "Rb2 Al2 H16 N8\n1.0\n7.302539 0.000000 -0.000000\n-0.000000 7.302539 -0.000000\n-0.000000 -0.000000 5.016771\nRb Al H N\n2 2 16 8\ndirect\n0.500000 -0.000000 0.688911 Rb\n0.000000 0.500000 0.311089 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.791235 0.336163 0.810999 H\n0.631755 0.634970 0.424002 H\n0.836163 0.708765 0.810999 H\n0.365030 0.631755 0.575998 H\n0.634970 0.368245 0.575998 H\n0.163837 0.291235 0.810999 H\n0.208765 0.663837 0.810999 H\n0.368245 0.365030 0.424002 H\n0.131755 0.134970 0.575998 H\n0.336163 0.208765 0.189001 H\n0.865030 0.131755 0.424002 H\n0.134970 0.868245 0.424002 H\n0.663837 0.791235 0.189001 H\n0.868245 0.865030 0.575998 H\n0.708765 0.163837 0.189001 H\n0.291235 0.836163 0.189001 H\n0.675726 0.408858 0.762457 N\n0.091142 0.175726 0.762457 N\n0.824274 0.091142 0.237543 N\n0.175726 -0.091142 0.237543 N\n-0.091142 0.824274 0.762457 N\n0.591143 0.675726 0.237543 N\n0.324274 0.591143 0.762457 N\n0.408858 0.324274 0.237543 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Al",
"H",
"N"
],
"chemical_system": "Al-H-N-Rb",
"density": 2.1915396282549677,
"density_atomic": 0.1046612660541448,
"volume": 267.52972762162705,
"volume_molar": 5.753934561506779,
"formula_full": "Rb2 Al2 H16 N8",
"formula_reduced": "RbAl(H2N)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.6653654142857146,
"spacegroup": 85
},
{
"id": "jvasp-107877",
"created_at": "2022-09-04T14:37:49.672693Z",
"updated_at": "2022-09-04T14:37:49.672709Z",
"structure_string": "Li1 Cu1 O1 F1\n1.0\n2.784974 0.000000 0.000000\n0.000000 2.784974 0.000000\n-0.000000 0.000000 4.927619\nLi Cu O F\n1 1 1 1\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.499999 0.499999 -0.000000 O\n0.000000 0.000000 0.500000 F\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Li",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-Li-O",
"density": 4.58310263714086,
"density_atomic": 0.10465996378870797,
"volume": 38.21900806382249,
"volume_molar": 5.754006156697853,
"formula_full": "Li1 Cu1 O1 F1",
"formula_reduced": "LiCuOF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.2404676647727274,
"spacegroup": 123
},
{
"id": "jvasp-43301",
"created_at": "2022-09-04T14:37:28.846759Z",
"updated_at": "2022-09-04T14:37:28.846775Z",
"structure_string": "Li2 Mn2 O4\n1.0\n2.901181 -0.144110 0.122266\n-1.575394 2.728661 -0.244532\n0.421500 -0.730059 10.006504\nLi Mn O\n2 2 4\ndirect\n0.325662 0.849848 0.247732 Li\n0.674338 0.524186 0.747732 Li\n0.499440 0.687332 0.497775 Mn\n0.500560 0.187892 0.997775 Mn\n0.134117 0.525229 0.883827 O\n0.867018 0.850657 0.111727 O\n0.132983 0.983640 0.611726 O\n0.865883 0.391111 0.383828 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.078696072038466,
"density_atomic": 0.10465720371643812,
"volume": 76.4400319893457,
"volume_molar": 5.754157904234282,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9467110603448277,
"spacegroup": 15
},
{
"id": "jvasp-71813",
"created_at": "2022-09-04T14:36:21.703045Z",
"updated_at": "2022-09-04T14:36:21.703072Z",
"structure_string": "Li1 Be1 Fe2\n1.0\n-1.890488 1.890488 2.673567\n1.890488 -1.890488 2.673567\n1.890488 1.890488 -2.673567\nLi Be Fe\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Li\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750001 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Li",
"density": 5.545590616962153,
"density_atomic": 0.10465526409149653,
"volume": 38.220724344099274,
"volume_molar": 5.754264548733113,
"formula_full": "Li1 Be1 Fe2",
"formula_reduced": "LiBeFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.367081775,
"spacegroup": 216
},
{
"id": "jvasp-121245",
"created_at": "2022-09-04T14:38:55.249212Z",
"updated_at": "2022-09-04T14:38:55.249239Z",
"structure_string": "Zn1 Si1 N2\n1.0\n2.778580 -0.000000 -0.000000\n-0.000000 2.778580 -0.000000\n0.000000 0.000000 4.950904\nZn Si N\n1 1 2\ndirect\n0.499999 0.499999 0.550496 Zn\n-0.000000 0.000000 0.071181 Si\n-0.000000 0.000000 0.417351 N\n0.499999 0.499999 -0.029030 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Si",
"N"
],
"chemical_system": "N-Si-Zn",
"density": 5.278655219317163,
"density_atomic": 0.10464769703113017,
"volume": 38.223488079342026,
"volume_molar": 5.754680638799493,
"formula_full": "Zn1 Si1 N2",
"formula_reduced": "ZnSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": null,
"spacegroup": 99
},
{
"id": "jvasp-62579",
"created_at": "2022-09-04T14:35:46.359692Z",
"updated_at": "2022-09-04T14:35:46.359720Z",
"structure_string": "Ca4 B8 H8\n1.0\n3.198752 -0.000000 0.000000\n-0.000000 3.489486 0.000000\n0.000000 0.000000 17.122354\nCa B H\n4 8 8\ndirect\n0.250000 0.957554 0.885709 Ca\n0.750000 0.457554 0.614290 Ca\n0.750000 0.042447 0.114291 Ca\n0.250000 0.542447 0.385709 Ca\n0.250000 0.871358 0.737324 B\n0.750000 0.371357 0.762676 B\n0.250000 0.628644 0.237324 B\n0.750000 0.128643 0.262676 B\n0.750000 0.559061 0.989076 B\n0.750000 0.940941 0.489076 B\n0.250000 0.440941 0.010924 B\n0.250000 0.059060 0.510923 B\n0.750000 0.885380 0.962574 H\n0.250000 0.890881 0.664272 H\n0.750000 0.390880 0.835727 H\n0.750000 0.109120 0.335727 H\n0.250000 0.609121 0.164272 H\n0.250000 0.114621 0.037425 H\n0.750000 0.614622 0.462575 H\n0.250000 0.385379 0.537425 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"B",
"H"
],
"chemical_system": "B-Ca-H",
"density": 2.214375521917629,
"density_atomic": 0.10464644836652036,
"volume": 191.11972085235737,
"volume_molar": 5.754749304924017,
"formula_full": "Ca4 B8 H8",
"formula_reduced": "Ca(BH)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.918601117333333,
"spacegroup": 62
}
]
}