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{
"id": "jvasp-40708",
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"structure_string": "Li4 Mn2 O2 F6\n1.0\n-3.769519 4.221466 0.156608\n3.769519 0.156608 4.221466\n3.884179 4.334590 0.043484\nLi Mn O F\n4 2 2 6\ndirect\n0.481766 0.991767 0.496879 Li\n0.483839 0.493778 0.522385 Li\n0.897239 0.749774 0.852989 Li\n0.011354 0.521356 0.496879 Li\n0.514661 0.980935 0.004407 Mn\n0.044067 0.273985 0.181949 Mn\n0.714469 0.958397 0.236159 O\n0.305445 0.549372 0.236159 O\n0.791354 0.031226 0.677420 F\n0.813005 0.460839 0.226156 F\n0.712231 0.442363 0.762487 F\n0.295149 0.025282 0.762487 F\n0.210664 0.999626 0.289712 F\n0.224762 0.521303 0.753936 F\n",
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{
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"structure_string": "K2 In4 Au8\n1.0\n7.159147 -0.009884 -2.394643\n-3.713685 6.120624 -2.394643\n0.005573 0.009884 7.549018\nK In Au\n2 4 8\ndirect\n0.750001 0.750000 0.000001 K\n0.250000 0.250000 0.000000 K\n0.355599 0.855598 0.211197 In\n0.855599 0.644401 0.500001 In\n0.144401 0.355598 0.500000 In\n0.644401 0.144401 0.788804 In\n0.513407 0.316330 0.500000 Au\n0.316330 0.816330 0.802924 Au\n0.816331 0.013407 0.500001 Au\n0.013407 0.513407 0.197076 Au\n0.683670 0.183670 0.197076 Au\n0.183670 0.986592 0.500000 Au\n0.486593 0.683669 0.500000 Au\n0.986593 0.486593 0.802925 Au\n",
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{
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"created_at": "2022-09-04T14:37:37.739437Z",
"updated_at": "2022-09-04T14:37:37.739446Z",
"structure_string": "Ag4 Ge2 O8\n1.0\n-0.000000 6.015074 5.159679\n2.996419 0.000000 5.159679\n2.996419 6.015074 0.000000\nAg Ge O\n4 2 8\ndirect\n0.220440 0.220440 0.529560 Ag\n0.529560 0.529561 0.220440 Ag\n0.779560 0.779561 0.470440 Ag\n0.470439 0.470441 0.779560 Ag\n0.125000 0.125000 0.125000 Ge\n0.874999 0.875001 0.875000 Ge\n0.145783 0.325068 0.262223 O\n0.766923 0.262224 0.325067 O\n0.262223 0.766924 0.145783 O\n0.325067 0.145784 0.766923 O\n0.674932 0.854217 0.233076 O\n0.737776 0.233077 0.854216 O\n0.233076 0.737777 0.674932 O\n0.854216 0.674933 0.737776 O\n",
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{
"id": "jvasp-58128",
"created_at": "2022-09-04T14:37:37.646412Z",
"updated_at": "2022-09-04T14:37:37.646440Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n5.210995 -0.000000 -2.735839\n-1.436350 5.009129 -2.735839\n0.298823 0.396551 6.899824\nMg Ag O\n2 4 8\ndirect\n0.374999 0.625000 0.749999 Mg\n0.624999 0.375000 0.249999 Mg\n-0.000000 -0.000000 0.500000 Ag\n0.000000 0.500000 -0.000000 Ag\n0.499999 -0.000000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.734890 0.752568 0.469782 O\n0.782785 0.265109 0.030217 O\n0.247432 0.265109 0.030217 O\n0.265108 0.247433 0.530217 O\n0.265108 0.782786 0.530217 O\n0.217214 0.734891 -0.030218 O\n0.734890 0.217214 0.469782 O\n0.752567 0.734891 -0.030218 O\n",
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{
"id": "jvasp-52781",
"created_at": "2022-09-04T14:37:37.643466Z",
"updated_at": "2022-09-04T14:37:37.643477Z",
"structure_string": "Zr2 Ti4 H8\n1.0\n4.077397 4.077397 0.000000\n-0.000000 4.077397 4.077397\n4.077397 0.000000 4.077397\nZr Ti H\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Zr\n0.125000 0.625000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.625000 Ti\n0.431726 0.856092 0.856092 H\n0.856092 0.856092 0.431726 H\n0.856092 0.431726 0.856092 H\n0.856092 0.856092 0.856092 H\n0.818275 0.393909 0.393909 H\n0.393909 0.393909 0.818275 H\n0.393909 0.818275 0.393909 H\n0.393909 0.393909 0.393909 H\n",
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{
"id": "jvasp-46866",
"created_at": "2022-09-04T14:37:59.565296Z",
"updated_at": "2022-09-04T14:37:59.565315Z",
"structure_string": "Li1 Mn5 O3 F5\n1.0\n0.012851 4.476962 4.476962\n4.489814 0.000000 4.489814\n4.489814 4.489814 0.000000\nLi Mn O F\n1 5 3 5\ndirect\n0.264117 0.245294 0.245294 Li\n0.951481 0.016173 0.016173 Mn\n0.646564 0.111071 0.621182 Mn\n0.646564 0.621182 0.111071 Mn\n0.105009 0.631663 0.631663 Mn\n0.646564 0.621182 0.621182 Mn\n0.857069 0.405667 0.868631 O\n0.857069 0.868631 0.405667 O\n0.857069 0.868631 0.868631 O\n0.878978 0.373673 0.373673 F\n0.388299 0.380880 0.380880 F\n0.388299 0.849938 0.380880 F\n0.388299 0.380880 0.849938 F\n0.374616 0.875128 0.875128 F\n",
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"formula_full": "Li1 Mn5 O3 F5",
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{
"id": "jvasp-58482",
"created_at": "2022-09-04T14:37:59.574124Z",
"updated_at": "2022-09-04T14:37:59.574154Z",
"structure_string": "Ca2 Fe4 S8\n1.0\n5.950471 -0.000000 -3.124074\n-1.640178 5.719960 -3.124073\n0.077733 0.103155 7.377075\nCa Fe S\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.791679 0.810502 0.583360 S\n0.727142 0.208321 0.916640 S\n0.189498 0.208321 0.916640 S\n0.208320 0.189499 0.416640 S\n0.208320 0.727143 0.416641 S\n0.272857 0.791680 0.083360 S\n0.791679 0.272858 0.583360 S\n0.810501 0.791680 0.083360 S\n",
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{
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"created_at": "2022-09-04T14:37:37.708240Z",
"updated_at": "2022-09-04T14:37:37.708256Z",
"structure_string": "K3 Na1 S2 O8\n1.0\n2.834468 -4.909442 0.000000\n2.834468 4.909442 -0.000000\n0.000000 0.000000 7.285414\nK Na S O\n3 1 2 8\ndirect\n0.333333 0.666667 0.172763 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.827237 K\n0.000000 0.000000 0.000000 Na\n0.666667 0.333333 0.270121 S\n0.333333 0.666667 0.729879 S\n0.190819 0.809181 0.802424 O\n0.190819 0.381638 0.802424 O\n0.618363 0.809182 0.802424 O\n0.381638 0.190819 0.197576 O\n0.809182 0.618363 0.197576 O\n0.809181 0.190819 0.197576 O\n0.666667 0.333333 0.471269 O\n0.333333 0.666667 0.528731 O\n",
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"formula_full": "K3 Na1 S2 O8",
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{
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"created_at": "2022-09-04T14:37:59.522401Z",
"updated_at": "2022-09-04T14:37:59.522416Z",
"structure_string": "Zn2 Co4 O8\n1.0\n2.878460 -4.985640 0.000000\n2.878460 4.985640 -0.000000\n-0.000000 -3.323760 4.700507\nZn Co O\n2 4 8\ndirect\n0.125000 0.375000 0.125000 Zn\n0.875000 0.625000 0.875001 Zn\n-0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 -0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.264529 0.235471 0.264529 O\n0.264529 0.235471 0.706414 O\n0.735470 0.206413 0.735471 O\n0.706413 0.235471 0.264529 O\n0.293586 0.764529 0.735471 O\n0.264529 0.793587 0.264529 O\n0.735471 0.764529 0.293587 O\n0.735470 0.764529 0.735471 O\n",
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{
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"created_at": "2022-09-04T14:37:59.646853Z",
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"structure_string": "Li2 Co2 P2 O8\n1.0\n4.904721 -0.089804 -0.084495\n-2.530134 4.382320 0.168992\n-0.147802 0.256001 8.674891\nLi Co P O\n2 2 2 8\ndirect\n-0.119425 0.949847 0.686228 Li\n0.119426 0.069275 0.186228 Li\n0.409193 0.691836 0.355017 Co\n0.590809 0.282645 0.855017 Co\n0.276754 0.639424 0.723989 P\n0.723247 0.362671 0.223990 P\n-0.054473 0.608983 0.724785 O\n0.452937 0.786228 0.568197 O\n0.510491 0.862562 0.843667 O\n0.228460 0.313234 0.758565 O\n0.489511 0.352073 0.343667 O\n0.547064 0.333292 0.068197 O\n0.771542 0.084775 0.258565 O\n0.054475 0.663457 0.224785 O\n",
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{
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"created_at": "2022-09-04T14:37:37.465092Z",
"updated_at": "2022-09-04T14:37:37.465123Z",
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{
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"structure_string": "Bi4 Rh6 S4\n1.0\n-5.760412 -4.202713 0.049359\n5.760412 -4.202713 -0.049359\n0.152514 4.202713 5.858216\nBi Rh S\n4 6 4\ndirect\n0.252853 0.994286 0.247138 Bi\n0.748651 0.497883 0.246533 Bi\n0.251350 0.502117 0.753468 Bi\n0.747148 0.005714 0.752863 Bi\n-0.000000 0.499999 -0.000000 Rh\n0.246251 0.246251 -0.000000 Rh\n0.753748 0.753748 -0.000000 Rh\n0.500000 0.000001 0.000000 Rh\n0.004317 0.243582 0.247897 Rh\n-0.004315 0.756418 0.752103 Rh\n0.304210 0.548313 0.308082 S\n0.759769 0.003872 0.308082 S\n0.695790 0.451688 0.691918 S\n0.240231 0.996129 0.691919 S\n",
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]
}