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{
"id": "jvasp-102835",
"created_at": "2022-09-04T14:36:51.738096Z",
"updated_at": "2022-09-04T14:36:51.738121Z",
"structure_string": "Na1 Mo1 F6\n1.0\n5.096321 -0.000000 2.942362\n1.698774 4.804858 2.942362\n-0.000000 -0.000000 5.884725\nNa Mo F\n1 1 6\ndirect\n0.499999 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Mo\n0.228342 0.771658 0.228342 F\n0.228342 0.771658 0.771656 F\n0.771657 0.228343 0.228342 F\n0.771656 0.771658 0.228342 F\n0.228342 0.228343 0.771657 F\n0.771657 0.228343 0.771656 F\n",
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{
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"created_at": "2022-09-04T14:36:47.265792Z",
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"structure_string": "Mn1 H2 O2\n1.0\n3.570629 -0.000000 0.000000\n-1.785314 3.092256 0.000000\n-0.000000 -0.000000 4.302061\nMn H O\n1 2 2\ndirect\n0.333334 0.666667 0.967822 Mn\n0.000000 0.000000 0.021256 H\n0.666667 0.333334 0.435149 H\n0.000000 0.000000 0.790264 O\n0.666667 0.333334 0.207983 O\n",
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{
"id": "jvasp-102838",
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"structure_string": "Li2 Mn2 F6\n1.0\n4.636874 -0.008347 3.041309\n1.638064 4.337905 3.041309\n-0.012098 -0.008347 5.545270\nLi Mn F\n2 2 6\ndirect\n0.145285 0.145285 0.145286 Li\n0.854713 0.854713 0.854717 Li\n0.641981 0.641980 0.641983 Mn\n0.358018 0.358018 0.358019 Mn\n0.951955 0.236904 0.558378 F\n0.441623 0.048044 0.763096 F\n0.763094 0.441622 0.048046 F\n0.236905 0.558376 0.951957 F\n0.558376 0.951954 0.236907 F\n0.048044 0.763094 0.441624 F\n",
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"formula_full": "Li2 Mn2 F6",
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{
"id": "jvasp-102839",
"created_at": "2022-09-04T14:36:54.650868Z",
"updated_at": "2022-09-04T14:36:54.650882Z",
"structure_string": "Na1 V3 O6\n1.0\n4.841703 0.035296 1.125807\n-2.124027 4.351074 1.125807\n-0.003222 -0.005200 5.148775\nNa V O\n1 3 6\ndirect\n0.375297 0.624702 0.000001 Na\n0.986285 0.013715 0.000000 V\n0.183704 0.816295 0.500000 V\n0.803193 0.196807 0.500000 V\n0.165971 0.167665 0.259361 O\n0.053298 0.399036 0.728559 O\n0.832334 0.834029 0.740640 O\n0.600963 0.946702 0.271442 O\n0.386049 0.053759 0.722970 O\n0.946241 0.613951 0.277030 O\n",
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"elements": [
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"volume": 108.90966029127675,
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"formula_full": "Na1 V3 O6",
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"spacegroup": 5
},
{
"id": "jvasp-10284",
"created_at": "2022-09-04T14:38:08.112719Z",
"updated_at": "2022-09-04T14:38:08.112739Z",
"structure_string": "Na4 Co2 S4\n1.0\n5.034399 -0.000000 -2.284247\n-1.276131 5.431682 -2.812549\n0.166520 0.099314 7.056946\nNa Co S\n4 2 4\ndirect\n0.144476 0.482990 0.288952 Na\n0.855524 0.517008 0.711047 Na\n0.355524 0.194037 0.711047 Na\n0.644476 0.805962 0.288952 Na\n0.250000 0.000000 -0.000000 Co\n0.750000 0.000000 -0.000000 Co\n0.611255 0.321441 0.222509 S\n0.388745 0.678557 0.777491 S\n0.888745 0.098932 0.777491 S\n0.111255 0.901067 0.222509 S\n",
"nsites": 10,
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"formula_full": "Na4 Co2 S4",
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{
"id": "jvasp-102840",
"created_at": "2022-09-04T14:36:49.808101Z",
"updated_at": "2022-09-04T14:36:49.808113Z",
"structure_string": "Mn2 F8\n1.0\n4.543171 0.000000 0.000000\n-0.000000 4.721275 2.481773\n-0.000000 0.159446 5.449045\nMn F\n2 8\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.749833 0.174517 0.150220 F\n0.750167 0.674516 0.150220 F\n0.298590 0.342194 0.314801 F\n0.201410 0.842193 0.314801 F\n0.798590 0.157807 0.685197 F\n0.701410 0.657806 0.685197 F\n0.249833 0.325484 0.849778 F\n0.250167 0.825483 0.849778 F\n",
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{
"id": "jvasp-102842",
"created_at": "2022-09-04T14:36:50.050111Z",
"updated_at": "2022-09-04T14:36:50.050134Z",
"structure_string": "Li3 Mn1 O4\n1.0\n2.380715 -0.004547 4.303599\n-0.072649 2.822097 9.543026\n-0.067653 -0.019680 9.537328\nLi Mn O\n3 1 4\ndirect\n0.998150 0.004494 -0.004529 Li\n0.998148 0.504464 0.995510 Li\n0.498151 0.004530 0.495439 Li\n0.498130 0.504445 0.495533 Mn\n0.271289 0.004527 0.222268 O\n0.178402 0.504511 0.268716 O\n0.724967 0.004499 0.768652 O\n0.817877 0.504519 0.722193 O\n",
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"volume": 65.35228437336366,
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"formula_full": "Li3 Mn1 O4",
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"spacegroup": 65
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{
"id": "jvasp-102843",
"created_at": "2022-09-04T14:36:55.358231Z",
"updated_at": "2022-09-04T14:36:55.358250Z",
"structure_string": "Li3 Fe1 O4\n1.0\n3.608092 -0.046026 -3.443790\n-0.692032 3.541404 -3.443790\n0.038398 0.046026 4.987639\nLi Fe O\n3 1 4\ndirect\n0.750000 0.249999 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.499999 -0.000001 Li\n0.000000 0.000000 0.000000 Fe\n0.000001 0.500000 0.500000 O\n0.215719 0.215718 -0.000000 O\n0.500000 -0.000000 0.500000 O\n0.784281 0.784280 -0.000001 O\n",
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"formula_full": "Li3 Fe1 O4",
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"spacegroup": 139
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{
"id": "jvasp-102844",
"created_at": "2022-09-04T14:36:56.026734Z",
"updated_at": "2022-09-04T14:36:56.026744Z",
"structure_string": "Zr2 Mn2 O6\n1.0\n4.806304 0.000101 2.572317\n3.091471 4.490065 -0.000040\n0.028454 -0.019525 5.723271\nZr Mn O\n2 2 6\ndirect\n0.710279 0.144862 0.434580 Zr\n0.289718 0.855137 0.565425 Zr\n0.724316 0.637844 0.913534 Mn\n0.275685 0.362153 0.086465 Mn\n0.505383 0.446924 0.257969 O\n0.789725 0.763355 0.257969 O\n0.188959 0.047682 0.257960 O\n0.811042 0.952315 0.742040 O\n0.210274 0.236642 0.742031 O\n0.494616 0.553074 0.742031 O\n",
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"formula_full": "Zr2 Mn2 O6",
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{
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"structure_string": "Li1 Co3 O4\n1.0\n5.060824 -0.101120 0.000000\n-1.682618 4.773988 0.000000\n0.000000 -0.000000 2.896089\nLi Co O\n1 3 4\ndirect\n0.499999 0.500000 0.500000 Li\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n-0.000000 0.500000 -0.000000 Co\n0.771096 0.771097 -0.000000 O\n0.231767 0.768233 0.500000 O\n0.768232 0.231767 0.500000 O\n0.228903 0.228903 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:57.053535Z",
"updated_at": "2022-09-04T14:36:57.053544Z",
"structure_string": "Tl2 Co2 O6\n1.0\n4.715297 0.064945 3.580232\n1.813217 4.353216 3.580232\n0.095967 0.064945 5.919702\nTl Co O\n2 2 6\ndirect\n0.872855 0.872857 0.872851 Tl\n0.127146 0.127146 0.127145 Tl\n0.662161 0.662163 0.662158 Co\n0.337839 0.337840 0.337838 Co\n0.321076 0.531142 0.941502 O\n0.941505 0.321077 0.531138 O\n0.531141 0.941506 0.321073 O\n0.468860 0.058497 0.678924 O\n0.058496 0.678926 0.468858 O\n0.678925 0.468861 0.058494 O\n",
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"formula_full": "Tl2 Co2 O6",
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{
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"created_at": "2022-09-04T14:36:55.604609Z",
"updated_at": "2022-09-04T14:36:55.604644Z",
"structure_string": "Cr1 Ga1 O4\n1.0\n4.462657 0.001954 0.175105\n-4.463938 2.983392 -0.176051\n0.039626 0.001436 4.465149\nCr Ga O\n1 1 4\ndirect\n0.571816 0.067297 0.498181 Cr\n0.484907 0.480382 0.998172 Ga\n0.191913 0.978060 0.788650 O\n0.191046 0.496881 0.688036 O\n0.773233 0.978058 0.207708 O\n0.811708 0.496856 0.308332 O\n",
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}
]
}