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"results": [
{
"id": "jvasp-42722",
"created_at": "2022-09-04T14:35:55.712686Z",
"updated_at": "2022-09-04T14:35:55.712709Z",
"structure_string": "Li2 Co2 O2 F4\n1.0\n4.918844 0.024415 0.044161\n-2.200487 4.399042 -0.044247\n-2.135071 -1.734655 4.464433\nLi Co O F\n2 2 2 4\ndirect\n0.878501 0.419988 0.345677 Li\n0.926827 0.968328 0.845666 Li\n0.476427 0.740100 0.217998 Co\n0.479024 0.242683 0.718003 Co\n0.389258 0.375922 0.991705 O\n0.616955 0.103591 0.491736 O\n0.659379 0.015064 0.003702 F\n0.979036 0.639929 0.972252 F\n0.333432 0.494309 0.472232 F\n0.989773 0.845444 0.503702 F\n",
"nsites": 10,
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"volume": 97.05025864374743,
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"formula_full": "Li2 Co2 O2 F4",
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{
"id": "jvasp-11654",
"created_at": "2022-09-04T14:37:01.052007Z",
"updated_at": "2022-09-04T14:37:01.052019Z",
"structure_string": "Li2 Cr4 O8\n1.0\n5.850659 0.026333 0.015162\n2.902991 5.055402 0.047056\n2.903558 1.699386 4.626399\nLi Cr O\n2 4 8\ndirect\n0.000009 0.999996 0.999986 Li\n-0.000004 0.499999 0.500002 Li\n0.000003 0.499992 0.000003 Cr\n0.500002 -0.000006 0.000004 Cr\n0.500003 0.499990 0.000007 Cr\n0.500004 0.499995 0.499995 Cr\n0.264770 0.712949 0.757286 O\n0.253684 0.263807 0.760481 O\n0.260786 0.265563 0.213076 O\n0.277959 0.736429 0.239263 O\n0.739218 0.734423 0.786932 O\n0.746324 0.736182 0.239519 O\n0.722036 0.263564 0.760741 O\n0.735241 0.287031 0.242718 O\n",
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"elements": [
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"density_atomic": 0.10303866308355034,
"volume": 135.87132811154493,
"volume_molar": 5.844544736684776,
"formula_full": "Li2 Cr4 O8",
"formula_reduced": "LiCr2O4",
"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-48591",
"created_at": "2022-09-04T14:37:03.122591Z",
"updated_at": "2022-09-04T14:37:03.122616Z",
"structure_string": "Li4 Ni4 O4 F8\n1.0\n0.000000 4.887302 0.008049\n4.845479 0.000000 0.000000\n0.000000 -4.636660 -8.204209\nLi Ni O F\n4 4 4 8\ndirect\n0.274503 0.969077 0.242251 Li\n0.725497 0.469077 0.257749 Li\n0.274503 0.530923 0.742251 Li\n0.725497 0.030923 0.757749 Li\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.935726 0.107180 0.037944 O\n0.064274 0.607180 0.462056 O\n0.935726 0.392820 0.537944 O\n0.064274 0.892820 0.962056 O\n0.638449 0.410694 0.741220 F\n0.733028 0.857970 0.587799 F\n0.266972 0.357970 0.912201 F\n0.361550 0.910694 0.758780 F\n0.638449 0.089306 0.241220 F\n0.733028 0.642031 0.087799 F\n0.266972 0.142031 0.412201 F\n0.361550 0.589306 0.258780 F\n",
"nsites": 20,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.093673496736093,
"density_atomic": 0.10303666751013643,
"volume": 194.10565659096517,
"volume_molar": 5.84465793151507,
"formula_full": "Li4 Ni4 O4 F8",
"formula_reduced": "LiNiOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4541912929999998,
"spacegroup": 14
},
{
"id": "jvasp-58576",
"created_at": "2022-09-04T14:37:07.251579Z",
"updated_at": "2022-09-04T14:37:07.251604Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n2.910804 -0.000000 -0.000000\n-1.455402 4.815779 0.000000\n0.000000 -0.000000 9.693092\nMn Zn O\n4 2 8\ndirect\n0.869651 0.739305 0.069909 Mn\n0.130348 0.260695 0.930090 Mn\n0.869651 0.739305 0.430090 Mn\n0.130348 0.260695 0.569909 Mn\n0.386640 0.773279 0.750000 Zn\n0.613359 0.226721 0.250000 Zn\n0.224114 0.448228 0.388512 O\n0.775886 0.551772 0.611487 O\n0.775886 0.551772 0.888512 O\n0.224114 0.448228 0.111488 O\n0.957731 0.915465 0.250000 O\n0.042268 0.084535 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.10303533542899815,
"volume": 135.87571624539842,
"volume_molar": 5.8447334935400574,
"formula_full": "Mn4 Zn2 O8",
"formula_reduced": "Mn2ZnO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 63
},
{
"id": "jvasp-44285",
"created_at": "2022-09-04T14:35:47.502512Z",
"updated_at": "2022-09-04T14:35:47.502530Z",
"structure_string": "Fe6 O8 F4\n1.0\n0.000000 5.433150 0.027037\n4.376379 0.000000 0.000000\n0.000000 -0.458356 -7.350193\nFe O F\n6 8 4\ndirect\n0.228411 0.484856 0.501385 Fe\n0.567119 0.542267 0.840508 Fe\n0.908096 0.493409 0.185014 Fe\n0.771588 0.984856 0.498614 Fe\n0.432880 0.042267 0.159491 Fe\n0.091903 0.993409 0.814985 Fe\n0.793653 0.796067 0.726429 O\n0.279229 0.708214 0.711460 O\n0.632459 0.708119 0.074220 O\n0.970919 0.709010 0.392973 O\n0.367541 0.208119 0.925779 O\n0.029080 0.209010 0.607026 O\n0.720770 0.208214 0.288539 O\n0.206346 0.296067 0.273570 O\n0.118902 0.778668 0.054073 F\n0.881097 0.278667 0.945926 F\n0.534706 0.279390 0.601628 F\n0.465294 0.779390 0.398371 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 5.123357672072073,
"density_atomic": 0.10302483628419278,
"volume": 174.71515266811215,
"volume_molar": 5.845329123734784,
"formula_full": "Fe6 O8 F4",
"formula_reduced": "Fe3(O2F)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 4
},
{
"id": "jvasp-12694",
"created_at": "2022-09-04T14:38:11.546768Z",
"updated_at": "2022-09-04T14:38:11.546784Z",
"structure_string": "V2 Fe2 H4 O10\n1.0\n5.254026 -0.009432 -0.002749\n-1.604918 5.364483 -0.039290\n-0.562001 -1.496149 6.213884\nV Fe H O\n2 2 4 10\ndirect\n0.256105 0.618542 0.757081 V\n0.743895 0.381458 0.242918 V\n0.627726 0.206121 0.692112 Fe\n0.372274 0.793878 0.307888 Fe\n0.078197 0.116071 0.701500 H\n0.921804 0.883929 0.298499 H\n0.850941 0.851077 0.705181 H\n0.149059 0.148923 0.294818 H\n0.907005 0.519565 0.730478 O\n0.092996 0.480435 0.269521 O\n0.903018 0.041124 0.749227 O\n0.365831 0.871869 0.613286 O\n0.642060 0.644410 0.347581 O\n0.398766 0.740198 0.018586 O\n0.601234 0.259802 0.981413 O\n0.096982 0.958876 0.250772 O\n0.357941 0.355590 0.652418 O\n0.634170 0.128131 0.386713 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"V",
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O-V",
"density": 3.5886756701203035,
"density_atomic": 0.10302130775762211,
"volume": 174.72113674142577,
"volume_molar": 5.84552932891152,
"formula_full": "V2 Fe2 H4 O10",
"formula_reduced": "VFeH2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 3.1020085777777777,
"spacegroup": 2
},
{
"id": "jvasp-43809",
"created_at": "2022-09-04T14:35:45.567322Z",
"updated_at": "2022-09-04T14:35:45.567344Z",
"structure_string": "Li4 Ti5 Fe3 O16\n1.0\n-5.798190 -0.000065 0.000332\n2.898953 4.923639 -0.030716\n-0.000791 0.042391 -9.521583\nLi Ti Fe O\n4 5 3 16\ndirect\n0.330410 0.660836 0.108403 Li\n0.013121 0.026272 0.006934 Li\n0.004711 0.009448 0.505282 Li\n0.660653 0.321325 0.599911 Li\n0.823969 0.647949 0.276997 Ti\n0.159102 0.807642 0.782255 Ti\n0.330720 0.661454 0.499986 Ti\n0.648518 0.807646 0.782254 Ti\n0.654632 0.309291 0.006508 Ti\n0.825755 0.172627 0.287365 Fe\n0.179696 0.359416 0.787784 Fe\n0.346855 0.172628 0.287364 Fe\n0.834506 0.669037 0.907659 O\n0.336762 0.176741 0.900743 O\n0.664385 0.328793 0.399211 O\n0.966102 0.482625 0.158934 O\n0.516510 0.482628 0.158937 O\n0.165898 0.331822 0.394836 O\n0.481511 0.510407 0.654249 O\n0.479273 0.958577 0.663318 O\n0.667485 0.838029 0.403716 O\n0.006860 0.013732 0.194385 O\n0.004518 0.009064 0.694020 O\n0.339919 0.679858 0.906674 O\n0.518477 0.036966 0.165732 O\n0.170523 0.838028 0.403716 O\n0.028873 0.510408 0.654247 O\n0.839951 0.176741 0.900740 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.219083048610551,
"density_atomic": 0.10301135264812633,
"volume": 271.8147008091859,
"volume_molar": 5.84609424610787,
"formula_full": "Li4 Ti5 Fe3 O16",
"formula_reduced": "Li4Ti5Fe3O16",
"formula_anonymous": "A3B4C5D16",
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"spacegroup": 8
},
{
"id": "jvasp-86291",
"created_at": "2022-09-04T14:36:08.495730Z",
"updated_at": "2022-09-04T14:36:08.495751Z",
"structure_string": "Pt2 N4\n1.0\n3.193375 0.000000 0.000000\n0.000000 3.751949 -0.000000\n0.000000 -0.000000 4.861512\nPt N\n2 4\ndirect\n0.000000 0.000000 0.000000 Pt\n0.499999 0.500000 0.500000 Pt\n0.499999 0.348858 0.913967 N\n0.499999 0.651142 0.086033 N\n0.000000 0.151142 0.413967 N\n0.000000 0.848858 0.586033 N\n",
"nsites": 6,
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"elements": [
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],
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"density": 12.72024255279017,
"density_atomic": 0.10300849473913617,
"volume": 58.24762331684098,
"volume_molar": 5.846256442491241,
"formula_full": "Pt2 N4",
"formula_reduced": "PtN2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.9527393,
"spacegroup": 58
},
{
"id": "jvasp-86894",
"created_at": "2022-09-04T14:36:07.009373Z",
"updated_at": "2022-09-04T14:36:07.009400Z",
"structure_string": "Pt2 N4\n1.0\n3.193375 0.000000 0.000000\n0.000000 3.751949 -0.000000\n0.000000 -0.000000 4.861512\nPt N\n2 4\ndirect\n0.000000 0.000000 0.000000 Pt\n0.499999 0.500000 0.500000 Pt\n0.499999 0.348858 0.913967 N\n0.499999 0.651142 0.086033 N\n0.000000 0.151142 0.413967 N\n0.000000 0.848858 0.586033 N\n",
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"volume": 58.24762331684098,
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"formula_full": "Pt2 N4",
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"spacegroup": 58
},
{
"id": "jvasp-43068",
"created_at": "2022-09-04T14:38:10.527483Z",
"updated_at": "2022-09-04T14:38:10.527504Z",
"structure_string": "Li2 Cr3 Fe1 O8\n1.0\n5.730166 -0.047733 -0.033753\n2.823745 4.986336 -0.033753\n2.823745 1.630290 4.712413\nLi Cr Fe O\n2 3 1 8\ndirect\n0.124553 0.124553 0.124552 Li\n0.875449 0.875449 0.875448 Li\n0.000001 0.500000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.500000 0.500001 0.000001 Cr\n0.500001 0.500001 0.500000 Fe\n0.261656 0.261656 0.261656 O\n0.263677 0.263677 0.713212 O\n0.263677 0.713212 0.263677 O\n0.713212 0.263677 0.263677 O\n0.286789 0.736324 0.736324 O\n0.736325 0.286789 0.736324 O\n0.736324 0.736324 0.286789 O\n0.738345 0.738345 0.738344 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.10300140878472613,
"volume": 135.92047104190706,
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"formula_full": "Li2 Cr3 Fe1 O8",
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"formula_anonymous": "AB2C3D8",
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},
{
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"created_at": "2022-09-04T14:38:31.481562Z",
"updated_at": "2022-09-04T14:38:31.481584Z",
"structure_string": "Li4 Fe6 Sn2 O16\n1.0\n5.709572 -0.000086 -0.000378\n-2.854860 4.944764 0.000756\n0.000602 -0.001044 9.629979\nLi Fe Sn O\n4 6 2 16\ndirect\n0.333313 0.666681 0.894419 Li\n0.000082 0.000042 0.994211 Li\n0.999917 -0.000039 0.494211 Li\n0.666686 0.333368 0.394419 Li\n0.826860 0.653821 0.714498 Fe\n0.346101 0.173063 0.714504 Fe\n0.826858 0.173058 0.714502 Fe\n0.173141 0.346198 0.214502 Fe\n0.173138 0.826960 0.214498 Fe\n0.653898 0.826960 0.214504 Fe\n0.333292 0.666660 0.493953 Sn\n0.666707 0.333369 0.993953 Sn\n0.312656 0.156342 0.105472 O\n0.843752 0.687441 0.105451 O\n0.666606 0.333321 0.604045 O\n0.514773 0.029645 0.833606 O\n0.514762 0.485152 0.833598 O\n0.687343 0.843685 0.605472 O\n0.485226 0.514871 0.333606 O\n0.029663 0.514838 0.333583 O\n0.156223 0.312561 0.605445 O\n0.999931 -0.000035 0.806633 O\n0.000068 0.000032 0.306633 O\n0.333393 0.666714 0.104045 O\n0.970336 0.485173 0.833582 O\n0.156246 0.843687 0.605451 O\n0.485237 0.970389 0.333599 O\n0.843776 0.156338 0.105445 O\n",
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],
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"density": 5.229692437639002,
"density_atomic": 0.1029881692717512,
"volume": 271.8758882500125,
"volume_molar": 5.847410243898591,
"formula_full": "Li4 Fe6 Sn2 O16",
"formula_reduced": "Li2Fe3SnO8",
"formula_anonymous": "AB2C3D8",
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},
{
"id": "jvasp-74830",
"created_at": "2022-09-04T14:35:48.831171Z",
"updated_at": "2022-09-04T14:35:48.831192Z",
"structure_string": "Mn1 Be2 P1\n1.0\n2.902406 0.000000 0.000000\n0.000000 2.902406 -0.000000\n0.000000 -0.000000 4.611027\nMn Be P\n1 2 1\ndirect\n0.000000 0.000000 0.511890 Mn\n0.000000 0.000000 0.013487 Be\n0.500001 0.500001 0.230841 Be\n0.500001 0.500001 0.743783 P\n",
"nsites": 4,
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],
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"volume": 38.84310972205869,
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"formula_full": "Mn1 Be2 P1",
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"spacegroup": 99
}
]
}