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{
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"structure_string": "Li8 Cr8 P8 O32\n1.0\n5.924823 0.000000 0.000000\n0.000000 7.416742 0.000000\n0.000000 0.000000 14.180349\nLi Cr P O\n8 8 8 32\ndirect\n0.201546 0.184948 0.221100 Li\n0.798454 0.815052 0.778900 Li\n0.298454 0.815052 0.721100 Li\n0.798454 0.684948 0.278900 Li\n0.298454 0.684948 0.221100 Li\n0.701546 0.315052 0.778900 Li\n0.201546 0.315052 0.721100 Li\n0.701546 0.184948 0.278900 Li\n0.616774 0.840118 0.451977 Cr\n0.116774 0.840118 0.048023 Cr\n0.616774 0.659882 0.951977 Cr\n0.116774 0.659882 0.548023 Cr\n0.883226 0.340118 0.451977 Cr\n0.383226 0.340118 0.048023 Cr\n0.883226 0.159882 0.951977 Cr\n0.383226 0.159882 0.548023 Cr\n0.892816 0.042822 0.626840 P\n0.392816 0.042822 0.873160 P\n0.892816 0.457178 0.126840 P\n0.392816 0.457178 0.373160 P\n0.607184 0.542822 0.626840 P\n0.107184 0.542822 0.873160 P\n0.607184 0.957178 0.126840 P\n0.107184 0.957178 0.373160 P\n0.787059 0.421229 0.222569 O\n0.439495 0.802942 0.097753 O\n0.939495 0.802942 0.402247 O\n0.017206 0.858473 0.632862 O\n0.517207 0.858473 0.867138 O\n0.712941 0.921229 0.222569 O\n0.212941 0.921229 0.277431 O\n0.793644 0.963159 0.045920 O\n0.706356 0.036841 0.545920 O\n0.206356 0.036841 0.954080 O\n0.787059 0.078771 0.722569 O\n0.287059 0.078771 0.777431 O\n0.482793 0.141527 0.132862 O\n0.982793 0.141527 0.367138 O\n0.060505 0.197058 0.597753 O\n0.939495 0.697058 0.902247 O\n0.060505 0.302942 0.097753 O\n0.560505 0.302942 0.402247 O\n0.482793 0.358473 0.632862 O\n0.982793 0.358473 0.867138 O\n0.560505 0.197058 0.902247 O\n0.287059 0.421229 0.277431 O\n0.706356 0.463159 0.045920 O\n0.206356 0.463159 0.454080 O\n0.793644 0.536841 0.545920 O\n0.293644 0.536841 0.954080 O\n0.712941 0.578771 0.722569 O\n0.212941 0.578771 0.777431 O\n0.017206 0.641527 0.132862 O\n0.517207 0.641527 0.367138 O\n0.439495 0.697058 0.597753 O\n0.293644 0.963159 0.454080 O\n",
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"spacegroup": 61
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{
"id": "mp-754900",
"created_at": "2022-09-04T14:42:46.843839Z",
"structure_string": "Ti2 Fe2 O8\n1.0\n1.422025 -2.273667 2.682056\n-1.422017 2.273662 2.682049\n-8.271728 -5.173342 -0.000009\nTi Fe O\n2 2 8\ndirect\n0.499998 0.999999 0.749999 Ti\n0.999997 0.499999 0.250000 Ti\n0.500001 0.500001 0.500000 Fe\n0.000005 0.000002 0.000000 Fe\n0.500005 0.000000 0.955549 O\n0.000001 0.500000 0.456082 O\n0.499999 0.000001 0.543921 O\n0.000000 0.500002 0.044451 O\n0.499998 0.500000 0.296590 O\n0.999999 0.999999 0.795548 O\n0.999998 0.000000 0.204448 O\n0.499999 0.499999 0.703413 O\n",
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"volume": 140.3450231878076,
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"formula_full": "Ti2 Fe2 O8",
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{
"id": "mp-1226149",
"created_at": "2022-09-04T14:42:46.538229Z",
"structure_string": "Cr8 Fe2 Cu1 Ni1 S16\n1.0\n11.418524 -3.439439 0.000000\n11.418524 3.439439 0.000000\n10.382511 0.000000 5.866507\nCr Fe Cu Ni S\n8 2 1 1 16\ndirect\n0.749814 0.749814 0.749814 Cr\n0.248910 0.248910 0.248910 Cr\n0.497497 0.002053 0.002053 Cr\n0.997405 0.501061 0.501061 Cr\n0.501061 0.997405 0.501061 Cr\n0.002053 0.497497 0.002053 Cr\n0.501061 0.501061 0.997405 Cr\n0.002053 0.002053 0.497497 Cr\n0.437422 0.437422 0.437422 Fe\n0.937514 0.937514 0.937514 Fe\n0.062594 0.062594 0.062594 Cu\n0.562458 0.562458 0.562458 Ni\n0.129131 0.129131 0.129131 S\n0.627300 0.627300 0.627300 S\n0.394592 0.863038 0.863038 S\n0.887279 0.367843 0.367844 S\n0.863038 0.394592 0.863038 S\n0.367843 0.887279 0.367843 S\n0.863038 0.863038 0.394592 S\n0.367844 0.367844 0.887279 S\n0.373393 0.373393 0.373393 S\n0.873430 0.873430 0.873430 S\n0.117372 0.629931 0.629931 S\n0.616828 0.129604 0.129604 S\n0.629931 0.117372 0.629931 S\n0.129604 0.616828 0.129604 S\n0.629931 0.629931 0.117372 S\n0.129604 0.129604 0.616828 S\n",
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"formula_full": "Cr8 Fe2 Cu1 Ni1 S16",
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{
"id": "mp-1196296",
"created_at": "2022-09-04T14:42:46.541486Z",
"structure_string": "Fe8 As4 S4 O56\n1.0\n6.311553 0.000000 0.000000\n0.000000 19.294297 0.000000\n-4.596791 0.000000 10.158126\nFe As S O\n8 4 4 56\ndirect\n0.722101 0.610741 0.534663 Fe\n0.722101 0.889259 0.034663 Fe\n0.277899 0.389259 0.465337 Fe\n0.277899 0.110741 0.965337 Fe\n0.102850 0.527003 0.807301 Fe\n0.102850 0.972997 0.307301 Fe\n0.897150 0.472997 0.192699 Fe\n0.897150 0.027003 0.692699 Fe\n0.476501 0.490860 0.297432 As\n0.476501 0.009140 0.797432 As\n0.523499 0.509140 0.702568 As\n0.523499 0.990860 0.202568 As\n0.004525 0.756961 0.560028 S\n0.004525 0.743039 0.060028 S\n0.995475 0.243039 0.439972 S\n0.995475 0.256961 0.939972 S\n0.583470 0.463781 0.183846 O\n0.583470 0.036219 0.683846 O\n0.416530 0.536219 0.816154 O\n0.416530 0.963781 0.316154 O\n0.186697 0.508890 0.195454 O\n0.186697 0.991110 0.695454 O\n0.813303 0.491110 0.804546 O\n0.813303 0.008890 0.304546 O\n0.616664 0.566355 0.367015 O\n0.616664 0.933645 0.867015 O\n0.383336 0.433645 0.632985 O\n0.383336 0.066355 0.132985 O\n0.512205 0.428497 0.413958 O\n0.512205 0.071503 0.913958 O\n0.487795 0.571503 0.586042 O\n0.487795 0.928497 0.086042 O\n0.256901 0.446520 0.900735 O\n0.256901 0.053480 0.400735 O\n0.743099 0.553480 0.099265 O\n0.743099 0.946520 0.599265 O\n0.174838 0.579364 0.948209 O\n0.174838 0.920636 0.448209 O\n0.825162 0.420636 0.051791 O\n0.825162 0.079364 0.551791 O\n0.040153 0.448304 0.693209 O\n0.040153 0.051696 0.193209 O\n0.959847 0.551696 0.306791 O\n0.959847 0.948304 0.806791 O\n0.976820 0.591468 0.681860 O\n0.976820 0.908532 0.181860 O\n0.023180 0.408532 0.318140 O\n0.023180 0.091468 0.818140 O\n0.462983 0.718016 0.562812 O\n0.462983 0.781984 0.062812 O\n0.537017 0.281984 0.437188 O\n0.537017 0.218016 0.937188 O\n0.361243 0.741429 0.452990 O\n0.361243 0.758571 0.952990 O\n0.638757 0.258571 0.547010 O\n0.638757 0.241429 0.047010 O\n0.836896 0.695792 0.496683 O\n0.836896 0.804208 0.996683 O\n0.163104 0.304208 0.503317 O\n0.163104 0.195792 0.003317 O\n0.045521 0.712844 0.947886 O\n0.045521 0.787156 0.447886 O\n0.954479 0.287156 0.052114 O\n0.954479 0.212844 0.552114 O\n0.895537 0.805692 0.615229 O\n0.895537 0.694308 0.115229 O\n0.104463 0.194308 0.384771 O\n0.104463 0.305692 0.884771 O\n0.773042 0.270123 0.339968 O\n0.773042 0.229877 0.839968 O\n0.226958 0.729877 0.660032 O\n0.226958 0.770123 0.160032 O\n",
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"formula_full": "Fe8 As4 S4 O56",
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{
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"structure_string": "Sr14 Si2 B6 N2 O26\n1.0\n5.393515 -9.341842 0.000000\n5.393515 9.341842 0.000000\n0.000000 0.000000 7.043895\nSr Si B N O\n14 2 6 2 26\ndirect\n0.125221 0.864629 0.180323 Sr\n0.042487 0.518076 0.848481 Sr\n0.475589 0.957513 0.848481 Sr\n0.135371 0.260592 0.180323 Sr\n0.333333 0.666667 0.484990 Sr\n0.481924 0.524411 0.848481 Sr\n0.260592 0.125221 0.680323 Sr\n0.739408 0.874779 0.180323 Sr\n0.518076 0.475589 0.348481 Sr\n0.666667 0.333333 0.984990 Sr\n0.524411 0.042487 0.348481 Sr\n0.864629 0.739408 0.680323 Sr\n0.957513 0.481924 0.348481 Sr\n0.874779 0.135371 0.680323 Sr\n0.333333 0.666667 0.074464 Si\n0.666667 0.333333 0.574464 Si\n0.174165 0.812028 0.640971 B\n0.187972 0.362137 0.640971 B\n0.637863 0.825835 0.640971 B\n0.362137 0.174165 0.140971 B\n0.812028 0.637863 0.140971 B\n0.825835 0.187972 0.140971 B\n0.000000 0.000000 0.976293 N\n0.000000 0.000000 0.476293 N\n0.153050 0.865983 0.807848 O\n0.069415 0.678584 0.575934 O\n0.298671 0.889691 0.534720 O\n0.183337 0.651080 0.157209 O\n0.110309 0.408980 0.534720 O\n0.333333 0.666667 0.839056 O\n0.134017 0.287067 0.807848 O\n0.467743 0.816663 0.157209 O\n0.348920 0.532257 0.157209 O\n0.321416 0.390831 0.575934 O\n0.609169 0.930585 0.575934 O\n0.287067 0.153050 0.307848 O\n0.408980 0.298671 0.034720 O\n0.591020 0.701329 0.534720 O\n0.712933 0.846950 0.807848 O\n0.390831 0.069415 0.075934 O\n0.678584 0.609169 0.075934 O\n0.651080 0.467743 0.657209 O\n0.532257 0.183337 0.657209 O\n0.865983 0.712933 0.307848 O\n0.666667 0.333333 0.339056 O\n0.889691 0.591020 0.034720 O\n0.816663 0.348920 0.657209 O\n0.701329 0.110309 0.034720 O\n0.930585 0.321416 0.075934 O\n0.846950 0.134017 0.307848 O\n",
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{
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"structure_string": "Co4 Cu2 S8\n1.0\n0.000000 4.737530 4.737530\n4.737530 0.000000 4.737530\n4.737530 4.737530 0.000000\nCo Cu S\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.125000 0.125000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Cu\n0.887911 0.336267 0.887911 S\n0.362089 0.362089 0.913733 S\n0.362089 0.362089 0.362089 S\n0.913733 0.362089 0.362089 S\n0.887911 0.887911 0.887911 S\n0.336267 0.887911 0.887911 S\n0.362089 0.913733 0.362089 S\n0.887911 0.887911 0.336267 S\n",
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{
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