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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=186",
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"results": [
{
"id": "jvasp-112826",
"created_at": "2022-09-04T14:38:42.862799Z",
"updated_at": "2022-09-04T14:38:42.862827Z",
"structure_string": "Li4 Mn5 Fe1 O12\n1.0\n4.863325 -0.030179 0.199254\n-2.422810 4.216969 0.199254\n0.410347 0.703965 9.930422\nLi Mn Fe O\n4 5 1 12\ndirect\n0.915389 0.245384 0.241145 Li\n0.754615 0.084609 0.758854 Li\n0.245384 0.915390 0.241145 Li\n0.084610 0.754615 0.758854 Li\n0.833233 0.166766 0.500000 Mn\n0.336752 0.663248 -0.000000 Mn\n0.663247 0.336752 -0.000000 Mn\n0.166767 0.833233 0.499999 Mn\n0.500000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Fe\n-0.029864 0.627184 0.107151 O\n0.706907 0.706907 0.890695 O\n0.372816 0.029863 0.892848 O\n0.199089 0.536367 0.391559 O\n0.873443 0.873443 0.391294 O\n0.029864 0.372815 0.892848 O\n0.463633 0.800910 0.608440 O\n0.800910 0.463632 0.608440 O\n0.627184 -0.029864 0.107151 O\n0.293092 0.293092 0.109304 O\n0.536367 0.199089 0.391559 O\n0.126556 0.126556 0.608705 O\n",
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"formula_anonymous": "AB4C5D12",
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{
"id": "jvasp-18227",
"created_at": "2022-09-04T14:38:11.508998Z",
"updated_at": "2022-09-04T14:38:11.509023Z",
"structure_string": "Co4 C2\n1.0\n2.886560 0.000000 0.000000\n0.000000 4.365149 0.000000\n0.000000 -0.000000 4.362866\nCo C\n4 2\ndirect\n0.000000 0.743753 0.647277 Co\n0.000000 0.256247 0.352724 Co\n0.500000 0.243753 0.852725 Co\n0.500000 0.756248 0.147276 Co\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 6,
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"elements": [
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},
{
"id": "jvasp-102321",
"created_at": "2022-09-04T14:36:46.734573Z",
"updated_at": "2022-09-04T14:36:46.734602Z",
"structure_string": "Ti1 V1 N2\n1.0\n2.836631 -0.000557 4.249479\n1.287604 2.527558 4.249479\n-0.000909 -0.000557 5.109260\nTi V N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500001 V\n0.249152 0.249152 0.249153 N\n0.750847 0.750846 0.750850 N\n",
"nsites": 4,
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"elements": [
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],
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"volume": 36.64921006797325,
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"spacegroup": 166
},
{
"id": "jvasp-110297",
"created_at": "2022-09-04T14:38:14.766861Z",
"updated_at": "2022-09-04T14:38:14.766885Z",
"structure_string": "Li4 C1 O4\n1.0\n4.152988 0.278402 1.801763\n-1.276476 3.961745 1.801763\n0.137219 0.202269 5.077968\nLi C O\n4 1 4\ndirect\n0.737704 0.737704 0.071634 Li\n0.537633 0.037318 0.472105 Li\n0.037318 0.537634 0.472105 Li\n0.327278 0.327278 0.891774 Li\n0.031442 0.031442 0.484624 C\n0.752203 0.106576 0.689089 O\n0.106576 0.752204 0.689089 O\n0.949992 0.949993 0.275146 O\n0.321774 0.321774 0.275801 O\n",
"nsites": 9,
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"elements": [
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"O"
],
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"density": 2.0896292446535973,
"density_atomic": 0.10913931084382532,
"volume": 82.46341240764015,
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"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 42
},
{
"id": "jvasp-33330",
"created_at": "2022-09-04T14:37:51.299674Z",
"updated_at": "2022-09-04T14:37:51.299714Z",
"structure_string": "Si1 H12 C2 N6 F6\n1.0\n5.768193 3.664037 -2.560732\n-5.768193 3.664037 2.560732\n-0.073272 0.000000 5.885570\nSi H C N F\n1 12 2 6 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.547422 0.010915 0.746421 H\n0.989086 0.452579 0.746421 H\n0.452579 0.989086 0.253579 H\n0.010915 0.547422 0.253579 H\n0.305625 0.012619 0.739956 H\n0.987381 0.694376 0.739956 H\n0.694376 0.987381 0.260044 H\n0.012619 0.305625 0.260044 H\n0.307479 0.452579 0.741433 H\n0.547422 0.692522 0.741433 H\n0.692522 0.547422 0.258567 H\n0.452579 0.307479 0.258567 H\n0.722204 0.277797 0.272660 C\n0.277797 0.722204 0.727340 C\n0.382655 0.617346 0.719804 N\n0.617346 0.382654 0.280197 N\n0.383176 0.933027 0.727986 N\n0.066974 0.616825 0.727986 N\n0.616825 0.066973 0.272014 N\n0.933028 0.383176 0.272014 N\n0.179794 0.152795 0.806900 F\n0.847206 0.820207 0.806900 F\n0.820207 0.847206 0.193100 F\n0.152795 0.179794 0.193100 F\n0.851254 0.148747 0.832559 F\n0.148748 0.851253 0.167441 F\n",
"nsites": 27,
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"elements": [
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],
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"formula_full": "Si1 H12 C2 N6 F6",
"formula_reduced": "SiH12C2(NF)6",
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},
{
"id": "jvasp-40676",
"created_at": "2022-09-04T14:37:57.947574Z",
"updated_at": "2022-09-04T14:37:57.947600Z",
"structure_string": "Li14 V2 O8 F4\n1.0\n-5.359812 0.114622 0.729844\n2.501480 4.953236 -1.592774\n1.349536 -0.165833 -9.710562\nLi V O F\n14 2 8 4\ndirect\n0.230770 0.069296 0.799890 Li\n0.015824 0.108658 0.252355 Li\n0.468493 0.581403 0.737133 Li\n0.485470 0.985185 0.380952 Li\n0.002196 0.522893 0.118239 Li\n0.957927 0.205948 0.452696 Li\n0.441671 0.681873 0.952996 Li\n0.484149 0.823885 0.183784 Li\n0.516227 0.293813 0.046928 Li\n0.034463 0.761244 0.557772 Li\n0.972360 0.467876 0.864327 Li\n0.561790 0.056972 0.617258 Li\n0.482884 0.382725 0.248997 Li\n0.966614 0.649076 0.321277 Li\n0.002539 -0.025189 0.010298 V\n0.495668 0.525366 0.474200 V\n0.775359 0.864786 0.381554 O\n0.210595 0.456211 0.302710 O\n0.339903 0.709743 0.540280 O\n0.246604 0.328609 0.886765 O\n0.162556 0.774097 0.959047 O\n0.678117 0.320004 0.444233 O\n0.278456 0.042693 0.190786 O\n0.718107 0.641547 0.115147 O\n0.807832 0.197977 0.056538 F\n0.229340 0.122557 0.605694 F\n0.762269 0.536481 0.686515 F\n0.671808 0.914289 0.811621 F\n",
"nsites": 28,
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"elements": [
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],
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"formula_full": "Li14 V2 O8 F4",
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"formula_anonymous": "AB2C4D7",
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"spacegroup": 1
},
{
"id": "jvasp-52893",
"created_at": "2022-09-04T14:35:46.505262Z",
"updated_at": "2022-09-04T14:35:46.505291Z",
"structure_string": "Li6 H8 Rh2\n1.0\n1.872544 4.448900 -0.000000\n-1.872544 4.448900 -0.000000\n0.000000 -0.000000 8.800119\nLi H Rh\n6 8 2\ndirect\n0.838355 0.838355 0.430354 Li\n0.161645 0.161645 0.569646 Li\n0.838355 0.838355 0.069646 Li\n0.161645 0.161645 0.930354 Li\n0.510196 0.510196 0.250000 Li\n0.489804 0.489804 0.750000 Li\n0.062697 0.062697 0.121984 H\n0.937303 0.937303 0.878016 H\n0.062697 0.062697 0.378016 H\n0.937303 0.937303 0.621984 H\n0.333212 0.333212 0.388222 H\n0.666788 0.666788 0.611778 H\n0.333212 0.333212 0.111778 H\n0.666788 0.666788 0.888222 H\n0.202154 0.202154 0.250000 Rh\n0.797846 0.797846 0.750000 Rh\n",
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"elements": [
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"H",
"Rh"
],
"chemical_system": "H-Li-Rh",
"density": 2.8938210014152,
"density_atomic": 0.10912311800736092,
"volume": 146.6233763492784,
"volume_molar": 5.5186663192613095,
"formula_full": "Li6 H8 Rh2",
"formula_reduced": "Li3H4Rh",
"formula_anonymous": "AB3C4",
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"spacegroup": 63
},
{
"id": "jvasp-29753",
"created_at": "2022-09-04T14:37:14.231513Z",
"updated_at": "2022-09-04T14:37:14.231547Z",
"structure_string": "B4 O2\n1.0\n2.598481 -0.000000 0.000000\n-1.299240 2.250350 0.000000\n0.000000 -0.000000 9.403801\nB O\n4 2\ndirect\n0.000000 0.000000 0.592564 B\n0.666667 0.333333 0.021618 B\n0.000000 0.000000 0.407436 B\n0.333333 0.666667 0.978381 B\n0.333333 0.666667 0.649289 O\n0.666667 0.333333 0.350711 O\n",
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"elements": [
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],
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"density": 2.272170936369128,
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"volume": 54.98864846851145,
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"formula_full": "B4 O2",
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"spacegroup": 164
},
{
"id": "jvasp-52242",
"created_at": "2022-09-04T14:37:04.189837Z",
"updated_at": "2022-09-04T14:37:04.189848Z",
"structure_string": "Li6 Cu1 F8\n1.0\n5.793159 -0.000000 0.000000\n-2.896579 5.017023 -0.000000\n2.896579 -1.672341 4.730094\nLi Cu F\n6 1 8\ndirect\n-0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.250000 F\n0.244811 0.244811 0.244811 F\n0.244811 0.755189 0.755188 F\n0.244811 0.244811 0.755188 F\n0.755189 0.755189 0.244811 F\n0.755189 0.244811 0.244811 F\n0.755189 0.755189 0.755188 F\n0.750000 0.250000 0.749999 F\n",
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"volume": 137.4774005576805,
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"formula_anonymous": "AB6C8",
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"spacegroup": 225
},
{
"id": "jvasp-48923",
"created_at": "2022-09-04T14:35:54.354863Z",
"updated_at": "2022-09-04T14:35:54.354882Z",
"structure_string": "Li4 Mn2 O4 F2\n1.0\n5.980833 2.304652 -0.132023\n-5.980833 2.304652 0.132023\n-3.837837 0.000000 4.074364\nLi Mn O F\n4 2 4 2\ndirect\n0.324008 0.674738 0.736947 Li\n0.325262 0.675991 0.236947 Li\n0.674737 0.324008 0.763052 Li\n0.675991 0.325262 0.263052 Li\n-0.000063 -0.000063 0.749999 Mn\n0.000063 0.000063 0.250000 Mn\n0.154123 0.846543 0.730646 O\n0.153456 0.845875 0.230647 O\n0.846543 0.154124 0.769352 O\n0.845875 0.153456 0.269353 O\n0.499994 0.499995 0.749999 F\n0.500005 0.500005 0.250000 F\n",
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],
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"formula_full": "Li4 Mn2 O4 F2",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 71
},
{
"id": "jvasp-44470",
"created_at": "2022-09-04T14:38:14.004577Z",
"updated_at": "2022-09-04T14:38:14.004594Z",
"structure_string": "Li12 Cr2 O8\n1.0\n4.521553 -0.000633 -0.000704\n0.000898 6.678271 0.000042\n0.001382 0.000076 6.678410\nLi Cr O\n12 2 8\ndirect\n0.250009 0.965244 0.534757 Li\n0.750012 0.034741 0.465256 Li\n0.178992 0.249995 0.750000 Li\n0.678993 0.249984 0.750011 Li\n0.749995 0.465265 0.465279 Li\n0.749994 0.465290 0.034711 Li\n0.750001 0.034712 0.034732 Li\n0.249994 0.534725 0.534743 Li\n0.821009 0.749988 0.250012 Li\n0.321008 0.749992 0.250005 Li\n0.249997 0.965275 0.965292 Li\n0.249992 0.534694 0.965302 Li\n0.749978 0.749998 0.750000 Cr\n0.250020 0.249990 0.250021 Cr\n0.439804 0.249993 0.520673 O\n0.060211 0.979330 0.250003 O\n0.560211 0.749991 0.020670 O\n0.560201 0.749991 0.479342 O\n0.060205 0.520648 0.250005 O\n0.939786 0.479336 0.750013 O\n0.439784 0.249994 0.979346 O\n0.939797 0.020653 0.750012 O\n",
"nsites": 22,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.5960911022224624,
"density_atomic": 0.10909325920847986,
"volume": 201.66232230680237,
"volume_molar": 5.520176776909326,
"formula_full": "Li12 Cr2 O8",
"formula_reduced": "Li6CrO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.8738974,
"spacegroup": 137
},
{
"id": "jvasp-112171",
"created_at": "2022-09-04T14:38:43.823176Z",
"updated_at": "2022-09-04T14:38:43.823195Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.140147 -0.000645 -0.000155\n-2.069610 4.468909 -1.078181\n0.000212 -0.568755 8.065015\nCd H C O\n1 6 5 4\ndirect\n0.016795 0.494192 0.237074 Cd\n0.712220 0.372428 0.549327 H\n0.638756 0.107251 0.668134 H\n0.377650 0.610982 0.667527 H\n0.833977 0.615914 0.924800 H\n0.260779 0.377303 0.806597 H\n0.025712 0.881060 0.805974 H\n0.953210 0.067031 0.458533 C\n0.836238 0.255833 0.604555 C\n0.162227 0.494148 0.737060 C\n0.074600 0.732486 0.869560 C\n0.380415 0.921302 0.015574 C\n0.137944 0.188360 0.350689 O\n0.873940 0.791089 0.453638 O\n0.577138 0.197223 0.020446 O\n0.443792 0.799994 0.123433 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.745623485919137,
"density_atomic": 0.10908943195027732,
"volume": 146.66865262707353,
"volume_molar": 5.520370444998628,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122069609375,
"spacegroup": 5
}
]
}