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{
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{
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{
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{
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{
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{
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{
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"structure_string": "Pr4 Ni2 B20\n1.0\n4.201666 0.000000 0.000000\n0.000000 5.643383 0.000000\n0.000000 0.000000 11.254261\nPr Ni B\n4 2 20\ndirect\n0.500000 0.193769 0.363684 Pr\n0.500000 0.806231 0.636316 Pr\n0.500000 0.306231 0.863684 Pr\n0.500000 0.693769 0.136316 Pr\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.374794 0.041518 B\n0.000000 0.625206 0.958482 B\n0.000000 0.125206 0.541518 B\n0.000000 0.874794 0.458482 B\n0.000000 0.346036 0.197056 B\n0.000000 0.653964 0.802944 B\n0.000000 0.153964 0.697056 B\n0.000000 0.846036 0.302944 B\n0.000000 0.037192 0.188079 B\n0.000000 0.962808 0.811921 B\n0.000000 0.462808 0.688079 B\n0.000000 0.537192 0.311921 B\n0.299791 0.203105 0.113646 B\n0.700209 0.796895 0.886354 B\n0.299791 0.796895 0.886354 B\n0.700209 0.296895 0.613646 B\n0.700209 0.203105 0.113646 B\n0.299791 0.703105 0.386354 B\n0.700209 0.703105 0.386354 B\n0.299791 0.296895 0.613646 B\n",
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{
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{
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"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.911683 -0.024201 4.150437\n-3.406980 6.384290 -0.012092\n0.077912 -0.002102 8.252552\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.120844 0.269600 0.415478 Li\n0.511469 0.506546 0.497553 Ti\n0.459770 0.008014 0.528867 Ti\n0.806238 0.256790 0.054469 Zn\n0.476664 0.770050 0.827037 Zn\n0.457694 0.247454 0.904370 P\n0.490910 0.754428 0.145794 P\n0.505360 0.084793 0.769130 O\n0.403915 0.404011 0.815195 O\n0.511872 0.936212 0.241587 O\n0.485086 0.580405 0.254306 O\n0.130242 0.663819 0.207667 O\n0.837287 0.846743 0.843164 O\n0.845978 0.359118 0.808453 O\n0.111634 0.157289 0.198978 O\n0.473861 0.752448 0.600935 O\n0.480246 0.254815 0.396218 O\n",
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{
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"structure_string": "Bi4 Br12\n1.0\n12.729406 0.000000 0.000000\n0.000000 7.421479 0.000000\n0.000000 2.406817 7.136450\nBi Br\n4 12\ndirect\n0.332780 0.480478 0.008885 Bi\n0.832780 0.019522 0.991115 Bi\n0.167220 0.980478 0.008885 Bi\n0.667220 0.519522 0.991115 Bi\n0.184397 0.216916 0.249093 Br\n0.507877 0.286453 0.236070 Br\n0.327428 0.229016 0.782216 Br\n0.827428 0.270984 0.217784 Br\n0.007877 0.213547 0.763930 Br\n0.315603 0.716916 0.249093 Br\n0.684397 0.283084 0.750907 Br\n0.992123 0.786453 0.236070 Br\n0.172572 0.729016 0.782216 Br\n0.672572 0.770984 0.217784 Br\n0.492123 0.713547 0.763930 Br\n0.815603 0.783084 0.750907 Br\n",
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},
{
"id": "mp-1102680",
"created_at": "2022-09-04T14:40:07.059997Z",
"structure_string": "Er4 Fe8\n1.0\n-2.563760 -4.443802 0.000000\n-2.563760 4.443802 0.000000\n0.000000 0.000000 -8.302924\nEr Fe\n4 8\ndirect\n0.666680 0.333320 0.562141 Er\n0.333320 0.666680 0.437859 Er\n0.333320 0.666680 0.062141 Er\n0.666680 0.333320 0.937859 Er\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.165652 0.331130 0.750000 Fe\n0.165603 0.834397 0.750000 Fe\n0.668870 0.834348 0.750000 Fe\n0.834348 0.668870 0.250000 Fe\n0.834397 0.165603 0.250000 Fe\n0.331130 0.165652 0.250000 Fe\n",
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"elements": [
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],
"chemical_system": "Er-Fe",
"density": 9.79356413829151,
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"volume": 189.18779947656915,
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"formula_full": "Er4 Fe8",
"formula_reduced": "ErFe2",
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"spacegroup": 194
},
{
"id": "mp-4199",
"created_at": "2022-09-04T14:40:33.401332Z",
"structure_string": "Na8 S8 O12\n1.0\n8.242099 0.000000 0.000000\n0.000000 6.522382 0.000000\n0.000000 1.100842 8.549986\nNa S O\n8 8 12\ndirect\n0.197977 0.876216 0.545958 Na\n0.697977 0.623784 0.454042 Na\n0.620992 0.292160 0.913867 Na\n0.302023 0.376216 0.545958 Na\n0.879008 0.792160 0.913867 Na\n0.379008 0.707840 0.086133 Na\n0.120992 0.207840 0.086133 Na\n0.802023 0.123784 0.454042 Na\n0.548358 0.791997 0.733649 S\n0.451642 0.208003 0.266351 S\n0.951642 0.291997 0.733649 S\n0.396862 0.017129 0.787081 S\n0.896862 0.482871 0.212919 S\n0.603138 0.982871 0.212919 S\n0.103138 0.517129 0.787081 S\n0.048358 0.708003 0.266351 S\n0.587844 0.659683 0.883638 O\n0.963770 0.828161 0.378077 O\n0.536230 0.328161 0.378077 O\n0.036230 0.171839 0.621923 O\n0.798423 0.379913 0.662063 O\n0.463770 0.671839 0.621923 O\n0.298423 0.120087 0.337937 O\n0.201577 0.620087 0.337937 O\n0.087844 0.840317 0.116362 O\n0.412156 0.340317 0.116362 O\n0.912156 0.159683 0.883638 O\n0.701577 0.879913 0.662063 O\n",
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"elements": [
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],
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"density": 2.284824013684362,
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"volume": 459.63115765278974,
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"formula_full": "Na8 S8 O12",
"formula_reduced": "Na2S2O3",
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}
]
}