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=-elements&page=395",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=393",
"results": [
{
"id": "jvasp-105587",
"created_at": "2022-09-04T14:36:48.861320Z",
"updated_at": "2022-09-04T14:36:48.861350Z",
"structure_string": "Li1 Ni3 O1 F5\n1.0\n4.416492 0.000002 2.565316\n-1.373024 4.621874 -2.646056\n0.002094 0.002154 5.148975\nLi Ni O F\n1 3 1 5\ndirect\n0.146978 0.430248 0.162890 Li\n0.367931 0.027182 0.329687 Ni\n0.656231 0.951126 0.623450 Ni\n0.833656 0.569698 0.878831 Ni\n0.545321 0.750376 0.258094 O\n0.061844 0.247253 0.445695 F\n0.255409 0.760636 0.929751 F\n0.760597 0.257134 0.057909 F\n0.437112 0.259062 0.753810 F\n0.934918 0.747275 0.559877 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.6454586542153695,
"density_atomic": 0.09515103909729132,
"volume": 105.09606720926153,
"volume_molar": 6.329033100565933,
"formula_full": "Li1 Ni3 O1 F5",
"formula_reduced": "LiNi3OF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 0.4786392112499998,
"spacegroup": 1
},
{
"id": "jvasp-108831",
"created_at": "2022-09-04T14:38:27.659352Z",
"updated_at": "2022-09-04T14:38:27.659369Z",
"structure_string": "Li1 Ni3 O3 F1\n1.0\n2.877544 -0.000000 0.000000\n0.000000 2.877544 0.000000\n-0.000000 -0.000000 8.661831\nLi Ni O F\n1 3 3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.499999 0.499999 0.755465 Ni\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.244535 Ni\n0.000000 0.000000 0.752109 O\n0.499999 0.499999 -0.000000 O\n0.000000 0.000000 0.247891 O\n0.499999 0.499999 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 5.7885045661904595,
"density_atomic": 0.11154146257868815,
"volume": 71.72220818205886,
"volume_molar": 5.399015416129777,
"formula_full": "Li1 Ni3 O3 F1",
"formula_reduced": "LiNi3O3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.4310947478125,
"spacegroup": 123
},
{
"id": "jvasp-48908",
"created_at": "2022-09-04T14:35:44.024732Z",
"updated_at": "2022-09-04T14:35:44.024757Z",
"structure_string": "Li4 Ni2 O4 F2\n1.0\n1.439097 -2.492588 0.000000\n1.439097 2.492588 -0.000000\n0.000000 -0.000000 14.032300\nLi Ni O F\n4 2 4 2\ndirect\n-0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.333334 0.666668 0.163993 Li\n0.666668 0.333334 0.836007 Li\n0.333334 0.666668 0.667480 Ni\n0.666668 0.333334 0.332520 Ni\n-0.000000 0.000000 0.742342 O\n0.333334 0.666668 0.407764 O\n-0.000000 0.000000 0.257658 O\n0.666668 0.333334 0.592236 O\n0.333334 0.666668 0.917755 F\n0.666668 0.333334 0.082245 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.076635334441161,
"density_atomic": 0.11920152776879428,
"volume": 100.66985066899012,
"volume_molar": 5.052066758473656,
"formula_full": "Li4 Ni2 O4 F2",
"formula_reduced": "Li2NiO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.9767766137500002,
"spacegroup": 164
},
{
"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,
"nelements": 4,
"elements": [
"Li",
"Ni",
"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-113259",
"created_at": "2022-09-04T14:38:47.727515Z",
"updated_at": "2022-09-04T14:38:47.727547Z",
"structure_string": "Li6 Ni4 O2 F10\n1.0\n9.004689 -0.002168 3.375038\n7.745048 4.587331 1.677763\n0.003062 -0.011155 5.052802\nLi Ni O F\n6 4 2 10\ndirect\n0.571477 0.571478 0.928522 Li\n0.165977 0.165979 0.834022 Li\n0.928523 0.928522 0.571477 Li\n0.500000 0.500000 0.500000 Li\n0.834023 0.834022 0.165977 Li\n0.250000 0.250000 0.250000 Li\n0.672880 0.672880 0.327119 Ni\n0.000000 0.000000 0.000000 Ni\n0.327120 0.327120 0.672880 Ni\n0.750000 0.750000 0.749999 Ni\n0.510253 0.989747 0.510252 O\n0.989747 0.510253 0.989747 O\n0.354477 0.811635 0.678853 F\n0.920001 0.415433 0.582177 F\n0.415434 0.920000 0.082388 F\n0.678853 0.155035 0.354477 F\n0.242694 0.757307 0.242693 F\n0.811635 0.354477 0.155035 F\n0.155034 0.678854 0.811634 F\n0.757306 0.242694 0.757307 F\n0.582177 0.082389 0.920001 F\n0.082389 0.582178 0.415433 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.9668557147046553,
"density_atomic": 0.10544836124113892,
"volume": 208.63292459984734,
"volume_molar": 5.710985632321579,
"formula_full": "Li6 Ni4 O2 F10",
"formula_reduced": "Li3Ni2OF5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 0.4372099738636365,
"spacegroup": 22
},
{
"id": "jvasp-116872",
"created_at": "2022-09-04T14:38:47.384103Z",
"updated_at": "2022-09-04T14:38:47.384125Z",
"structure_string": "Li14 Ni2 O8 F4\n1.0\n5.161663 -0.026955 0.859308\n-3.056925 5.016728 0.912958\n-0.106765 0.420393 10.000787\nLi Ni O F\n14 2 8 4\ndirect\n0.130647 0.087074 0.206434 Li\n0.875392 0.883145 0.732614 Li\n0.979377 0.547482 0.285422 Li\n0.549158 0.044365 0.614960 Li\n0.486959 0.478970 0.925790 Li\n0.676848 0.701000 0.420002 Li\n0.709048 0.200840 0.085136 Li\n0.634840 0.147963 0.847423 Li\n0.212610 0.705122 0.982087 Li\n0.197865 0.192687 0.444365 Li\n0.596840 0.672763 0.141598 Li\n0.512574 0.017477 0.388543 Li\n0.112598 0.602053 0.752695 Li\n0.384826 0.381948 0.644536 Li\n0.064948 0.052170 0.925747 Ni\n0.021711 0.536074 0.512869 Ni\n0.965368 0.213574 0.614588 O\n0.660372 0.834856 0.933300 O\n0.633947 0.347979 0.466191 O\n0.058888 0.355986 0.925524 O\n0.232993 0.935323 0.799565 O\n0.351135 0.114512 0.023690 O\n0.103239 0.855932 0.386169 O\n0.390806 0.720503 0.559368 O\n0.702375 -0.062475 0.237781 F\n0.221467 0.397469 0.260914 F\n0.831531 0.520146 0.134862 F\n0.701637 0.515072 0.747837 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 2.720009362970716,
"density_atomic": 0.10958027559873333,
"volume": 255.52043784350238,
"volume_molar": 5.495643013394293,
"formula_full": "Li14 Ni2 O8 F4",
"formula_reduced": "Li7Ni(O2F)2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 1.191476211785714,
"spacegroup": 1
},
{
"id": "jvasp-116823",
"created_at": "2022-09-04T14:38:48.480404Z",
"updated_at": "2022-09-04T14:38:48.480417Z",
"structure_string": "Li4 Ni4 O4 F4\n1.0\n2.899602 0.000000 0.000000\n0.000000 2.899602 0.000000\n-0.000000 -0.000000 16.643103\nLi Ni O F\n4 4 4 4\ndirect\n-0.000000 0.500000 0.319185 Li\n0.500000 -0.000000 0.441181 Li\n-0.000000 0.500000 0.558819 Li\n0.500000 -0.000000 0.680815 Li\n-0.000000 0.500000 0.810523 Ni\n0.500000 -0.000000 0.935692 Ni\n-0.000000 0.500000 0.064308 Ni\n0.500000 -0.000000 0.189476 Ni\n0.500000 -0.000000 0.809377 O\n-0.000000 0.500000 0.938783 O\n0.500000 -0.000000 0.061216 O\n-0.000000 0.500000 0.190623 O\n0.500000 -0.000000 0.322822 F\n-0.000000 0.500000 0.440270 F\n0.500000 -0.000000 0.559730 F\n-0.000000 0.500000 0.677178 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.776777226408081,
"density_atomic": 0.11434282041648836,
"volume": 139.93007992736887,
"volume_molar": 5.266741486754162,
"formula_full": "Li4 Ni4 O4 F4",
"formula_reduced": "LiNiOF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.521654045625,
"spacegroup": 129
},
{
"id": "jvasp-48967",
"created_at": "2022-09-04T14:36:15.637673Z",
"updated_at": "2022-09-04T14:36:15.637696Z",
"structure_string": "Li1 Ni3 O3 F1\n1.0\n2.879201 -0.000000 -0.000000\n-0.000000 2.879201 0.000000\n-0.000000 -0.000000 8.768648\nLi Ni O F\n1 3 3 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.255222 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.744778 Ni\n0.500000 0.500000 0.252416 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.747584 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 5.7114111738193385,
"density_atomic": 0.11005591313463084,
"volume": 72.69032414654214,
"volume_molar": 5.4718920487562945,
"formula_full": "Li1 Ni3 O3 F1",
"formula_reduced": "LiNi3O3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.4335634978125,
"spacegroup": 123
},
{
"id": "jvasp-48878",
"created_at": "2022-09-04T14:36:20.976226Z",
"updated_at": "2022-09-04T14:36:20.976250Z",
"structure_string": "Li7 Ni1 O4 F2\n1.0\n5.399724 0.024358 -0.001948\n-1.953829 4.985487 0.036055\n-2.579698 -1.156188 4.746840\nLi Ni O F\n7 1 4 2\ndirect\n0.590252 0.127533 0.311272 Li\n0.751217 0.520618 0.701540 Li\n0.115275 0.197779 0.639276 Li\n0.313029 0.651512 0.984244 Li\n0.901104 0.764745 0.358651 Li\n0.169864 0.455568 0.297695 Li\n0.459137 0.933553 0.682952 Li\n0.013414 0.000283 0.002577 Ni\n0.856201 0.218227 0.763621 O\n0.874208 0.083574 0.227345 O\n0.124307 0.878308 0.767267 O\n0.207982 0.813494 0.254542 O\n0.543589 0.471912 0.289454 F\n0.414984 0.543870 0.711533 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 2.7105639320776724,
"density_atomic": 0.10919975009963061,
"volume": 128.20542159873824,
"volume_molar": 5.514793536162472,
"formula_full": "Li7 Ni1 O4 F2",
"formula_reduced": "Li7Ni(O2F)2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 1.1946397832142857,
"spacegroup": 1
},
{
"id": "jvasp-47035",
"created_at": "2022-09-04T14:38:08.150677Z",
"updated_at": "2022-09-04T14:38:08.150705Z",
"structure_string": "Li3 Ni3 O1 F7\n1.0\n-0.032813 4.183145 4.183145\n4.183145 -0.032813 4.183145\n4.183145 4.183145 -0.032813\nLi Ni O F\n3 3 1 7\ndirect\n-0.000408 -0.000408 -0.000408 Li\n0.254855 0.254855 0.254855 Li\n0.623919 0.623919 0.623919 Li\n0.614678 0.133766 0.614678 Ni\n0.614678 0.614678 0.133766 Ni\n0.133766 0.614678 0.614678 Ni\n0.386727 0.386727 0.386727 O\n0.859099 0.383105 0.383105 F\n0.383105 0.859099 0.383105 F\n0.383105 0.383105 0.859099 F\n0.867581 0.867581 0.394198 F\n0.867581 0.394198 0.867581 F\n0.394198 0.867581 0.867581 F\n0.867127 0.867127 0.867127 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.8776633077821083,
"density_atomic": 0.09451685083009256,
"volume": 148.12173572273355,
"volume_molar": 6.371499586698726,
"formula_full": "Li3 Ni3 O1 F7",
"formula_reduced": "Li3Ni3OF7",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 0.42451519125,
"spacegroup": 160
},
{
"id": "jvasp-46889",
"created_at": "2022-09-04T14:38:09.141470Z",
"updated_at": "2022-09-04T14:38:09.141487Z",
"structure_string": "Li4 Ni3 O2 F6\n1.0\n5.099952 -0.004421 -0.004536\n-0.884988 -5.015197 0.004945\n-1.706288 0.270166 -5.596808\nLi Ni O F\n4 3 2 6\ndirect\n0.981899 0.261946 0.872488 Li\n0.018100 0.738053 0.127514 Li\n0.988041 0.239066 0.369444 Li\n0.011958 0.760933 0.630558 Li\n0.500000 -0.000000 0.000000 Ni\n0.501894 0.499189 0.239711 Ni\n0.498105 0.500811 0.760291 Ni\n0.725318 0.361026 0.055964 O\n0.274682 0.638973 0.944038 O\n0.231471 0.130506 0.174910 F\n0.779645 0.867525 0.310648 F\n0.760779 0.399583 0.566247 F\n0.239220 0.600417 0.433755 F\n0.768529 0.869494 0.825092 F\n0.220354 0.132475 0.689354 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.056476852988529,
"density_atomic": 0.10474417222352998,
"volume": 143.20605797513156,
"volume_molar": 5.749380258739752,
"formula_full": "Li4 Ni3 O2 F6",
"formula_reduced": "Li4Ni3(OF3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 0.6719190596666667,
"spacegroup": 2
},
{
"id": "jvasp-46867",
"created_at": "2022-09-04T14:38:08.602573Z",
"updated_at": "2022-09-04T14:38:08.602607Z",
"structure_string": "Li3 Ni4 O4 F3\n1.0\n-0.000000 -2.041725 -2.041725\n0.000000 2.041725 -2.041725\n14.875306 0.000000 2.041725\nLi Ni O F\n3 4 4 3\ndirect\n0.496469 0.496469 0.992939 Li\n0.360674 0.360674 0.721346 Li\n0.928570 0.928570 0.857143 Li\n0.070095 0.070095 0.140189 Ni\n0.641522 0.641522 0.283047 Ni\n0.215619 0.215619 0.431238 Ni\n0.787047 0.787047 0.574096 Ni\n0.569188 0.569188 0.138379 O\n0.141681 0.141681 0.283361 O\n0.715461 0.715461 0.430926 O\n0.287954 0.287954 0.575907 O\n0.994694 0.994694 0.989392 F\n0.862446 0.862446 0.724895 F\n0.428571 0.428571 0.857143 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 5.042278193830692,
"density_atomic": 0.11288536421643663,
"volume": 124.01962023312085,
"volume_molar": 5.33474007175427,
"formula_full": "Li3 Ni4 O4 F3",
"formula_reduced": "Li3Ni4O4F3",
"formula_anonymous": "A3B3C4D4",
"energy_above_hull": 1.2420660319642856,
"spacegroup": 139
}
]
}