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{
"id": "jvasp-86165",
"created_at": "2022-09-04T14:35:52.567361Z",
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"structure_string": "Os4 N8\n1.0\n4.934389 0.000000 0.000000\n0.000000 4.570926 -1.898545\n0.000000 0.037094 4.985573\nOs N\n4 8\ndirect\n0.497246 0.231632 0.720468 Os\n0.502755 0.768368 0.279530 Os\n0.997246 0.768367 0.779530 Os\n0.002754 0.231633 0.220469 Os\n0.401605 0.806329 0.694100 N\n0.098395 0.806329 0.194101 N\n0.089933 0.323335 0.673075 N\n0.410067 0.323336 0.173076 N\n0.910067 0.676665 0.326923 N\n0.589933 0.676664 0.826923 N\n0.901605 0.193671 0.805897 N\n0.598395 0.193671 0.305898 N\n",
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{
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{
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"created_at": "2022-09-04T14:38:53.168876Z",
"updated_at": "2022-09-04T14:38:53.168900Z",
"structure_string": "Li4 Fe2 F8\n1.0\n4.981479 -0.030255 -0.000000\n-4.172654 2.721215 0.000000\n0.000000 0.000000 9.798950\nLi Fe F\n4 2 8\ndirect\n0.623773 0.376226 0.063152 Li\n0.623773 0.376226 0.436848 Li\n0.376228 0.623774 0.563152 Li\n0.376228 0.623774 0.936848 Li\n0.875750 0.124248 0.250000 Fe\n0.124251 0.875752 0.750000 Fe\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.536069 0.463932 0.250000 F\n0.726358 0.273641 0.618532 F\n0.726358 0.273641 0.881468 F\n0.463932 0.536069 0.750000 F\n0.273643 0.726359 0.118532 F\n0.273643 0.726359 0.381468 F\n",
"nsites": 14,
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"density": 3.677586568755988,
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"formula_full": "Li4 Fe2 F8",
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{
"id": "jvasp-74686",
"created_at": "2022-09-04T14:36:19.803003Z",
"updated_at": "2022-09-04T14:36:19.803028Z",
"structure_string": "Be2 Fe1 Co1\n1.0\n-1.880133 1.880133 2.658371\n1.880133 -1.880133 2.658371\n1.880133 1.880133 -2.658371\nBe Fe Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Fe\n0.500000 0.500000 0.000000 Co\n",
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{
"id": "jvasp-46850",
"created_at": "2022-09-04T14:38:11.266565Z",
"updated_at": "2022-09-04T14:38:11.266588Z",
"structure_string": "Li2 V1 C2 O6\n1.0\n4.751947 0.000000 0.000000\n-2.375974 1.371768 5.285740\n2.375975 -4.115307 -0.000000\nLi V C O\n2 1 2 6\ndirect\n0.204565 0.613693 0.204564 Li\n0.795436 0.386307 0.795436 Li\n0.000000 0.000000 0.000000 V\n0.413748 0.241243 0.413748 C\n0.586252 0.758757 0.586252 C\n0.304724 0.757033 0.601594 O\n0.398406 0.242967 0.149284 O\n0.149283 0.242967 0.695276 O\n0.850717 0.757033 0.304724 O\n0.601594 0.757033 0.850716 O\n0.695276 0.242967 0.398406 O\n",
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"formula_full": "Li2 V1 C2 O6",
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{
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"created_at": "2022-09-04T14:35:41.873058Z",
"updated_at": "2022-09-04T14:35:41.873085Z",
"structure_string": "Li3 Mn5 Cr2 O12\n1.0\n5.003058 0.100319 -0.101636\n2.495485 4.337421 0.101636\n-0.817917 1.382053 9.703920\nLi Mn Cr O\n3 5 2 12\ndirect\n0.330741 0.827592 0.989494 Li\n0.827593 0.330741 0.510506 Li\n0.924019 0.924020 0.750000 Li\n0.064698 0.064698 0.250000 Mn\n0.415087 0.415087 0.250000 Mn\n0.577946 0.577946 0.750000 Mn\n0.507734 0.010840 0.511307 Mn\n0.010840 0.507733 0.988693 Mn\n0.255257 0.255257 0.750000 Cr\n0.764145 0.764146 0.250000 Cr\n0.709266 0.465349 0.144847 O\n0.612811 0.853326 0.864130 O\n0.465348 0.709266 0.355153 O\n0.779452 0.044821 0.374128 O\n0.232485 0.963982 0.635139 O\n0.131809 0.358991 0.360356 O\n0.298031 0.542850 0.860299 O\n0.358992 0.131810 0.139644 O\n0.044821 0.779452 0.125872 O\n0.963983 0.232486 0.864861 O\n0.542850 0.298031 0.639701 O\n0.853326 0.612812 0.635870 O\n",
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"density_atomic": 0.10642048413421225,
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"volume_molar": 5.658817293487572,
"formula_full": "Li3 Mn5 Cr2 O12",
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{
"id": "jvasp-42309",
"created_at": "2022-09-04T14:37:27.700497Z",
"updated_at": "2022-09-04T14:37:27.700522Z",
"structure_string": "Co6 O8 F4\n1.0\n-4.553869 4.553869 2.917613\n-0.157765 4.398060 -2.920212\n-4.398060 0.157765 -2.920212\nCo O F\n6 8 4\ndirect\n0.846539 0.673605 0.673605 Co\n0.317867 0.657360 0.657360 Co\n0.651974 0.338655 0.338655 Co\n0.177268 0.338162 0.338162 Co\n0.497364 0.997217 0.997217 Co\n0.997687 0.989662 0.989662 Co\n0.002579 0.696569 0.302712 O\n0.002579 0.302712 0.696569 O\n0.668948 0.638860 0.034382 O\n0.333904 0.969354 0.361798 O\n0.366237 0.435537 0.435537 O\n0.668948 0.034382 0.638860 O\n0.333904 0.361798 0.969354 O\n0.038032 0.765169 0.765169 O\n0.964206 0.231995 0.231995 F\n0.632214 0.577609 0.577609 F\n0.308642 0.893654 0.893654 F\n0.691119 0.097703 0.097703 F\n",
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"elements": [
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"volume": 169.13968575052104,
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"formula_full": "Co6 O8 F4",
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{
"id": "jvasp-37880",
"created_at": "2022-09-04T14:38:15.089298Z",
"updated_at": "2022-09-04T14:38:15.089315Z",
"structure_string": "Be6 Ru2\n1.0\n2.400282 -4.157411 -0.000000\n2.400282 4.157411 0.000000\n-0.000000 -0.000000 3.766335\nBe Ru\n6 2\ndirect\n0.161426 0.322853 0.250000 Be\n0.677146 0.838573 0.250000 Be\n0.161426 0.838573 0.250000 Be\n0.838573 0.677146 0.749999 Be\n0.322853 0.161426 0.749999 Be\n0.838573 0.161426 0.749999 Be\n0.333333 0.666666 0.749999 Ru\n0.666666 0.333333 0.250000 Ru\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:36:55.861734Z",
"updated_at": "2022-09-04T14:36:55.861751Z",
"structure_string": "Li1 Ti1 O2\n1.0\n2.790038 0.000999 4.681173\n1.289971 2.473921 4.681175\n0.001648 0.000999 5.449560\nLi Ti O\n1 1 2\ndirect\n0.827935 0.827934 0.827932 Li\n0.001316 0.001316 0.001316 Ti\n0.591658 0.591658 0.591656 O\n0.412427 0.412427 0.412426 O\n",
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{
"id": "jvasp-70143",
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"structure_string": "Li1 Be2 Ni1\n1.0\n-1.636812 1.636812 3.506679\n1.636812 -1.636812 3.506679\n1.636812 1.636812 -3.506679\nLi Be Ni\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Ni\n",
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{
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"created_at": "2022-09-04T14:38:01.931893Z",
"updated_at": "2022-09-04T14:38:01.931909Z",
"structure_string": "Li2 Fe3 Ni1 O8\n1.0\n5.768632 0.069010 0.048797\n2.944080 4.961278 0.048797\n2.944080 1.699765 4.661271\nLi Fe Ni O\n2 3 1 8\ndirect\n0.122445 0.122445 0.122445 Li\n0.497936 0.497937 0.497937 Li\n0.002053 0.501272 0.501271 Fe\n0.501270 0.002054 0.501271 Fe\n0.501270 0.501271 0.002054 Fe\n0.878250 0.878253 0.878252 Ni\n0.263444 0.263444 0.263444 O\n0.249153 0.249154 0.712867 O\n0.249153 0.712867 0.249154 O\n0.712866 0.249153 0.249154 O\n0.284057 0.747837 0.747837 O\n0.747835 0.284058 0.747837 O\n0.747835 0.747837 0.284058 O\n0.742425 0.742427 0.742427 O\n",
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{
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"structure_string": "Sn1 H12 C7 O4\n1.0\n5.157872 0.017882 0.081255\n-0.744614 6.207067 -0.378830\n0.106525 0.295824 7.022876\nSn H C O\n1 12 7 4\ndirect\n-0.002488 0.667457 0.638762 Sn\n0.996057 0.273634 0.483713 H\n0.143884 0.469705 0.318458 H\n0.080028 0.892031 0.963178 H\n0.767248 0.920780 0.868400 H\n0.055710 0.076451 0.772165 H\n0.327234 0.390856 0.517517 H\n0.347555 0.327153 0.029327 H\n0.623238 0.280836 0.297879 H\n0.835498 0.136507 0.157981 H\n0.488653 0.827522 0.124128 H\n0.263887 0.968309 0.261930 H\n0.465291 0.117066 0.899688 H\n0.471326 0.948216 0.238995 C\n0.630104 0.161887 0.181141 C\n0.525339 0.248838 0.000888 C\n0.717193 0.400653 0.888611 C\n0.136046 0.417814 0.466784 C\n0.975962 0.924537 0.835985 C\n0.571434 0.863438 0.419735 C\n0.435629 0.859684 0.571928 O\n0.629928 0.480670 0.737268 O\n0.954292 0.445538 0.930743 O\n0.803346 0.801312 0.405653 O\n",
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}
]
}