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{
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{
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"structure_string": "K8 Mn4 S4 O16 F12\n1.0\n11.022875 0.000000 0.000000\n0.000000 7.402395 0.000000\n0.000000 0.363525 8.608893\nK Mn S O F\n8 4 4 16 12\ndirect\n0.807003 0.183686 0.664915 K\n0.807371 0.687711 0.332730 K\n0.307003 0.816314 0.835085 K\n0.192997 0.816314 0.335085 K\n0.192629 0.312289 0.667270 K\n0.307371 0.312289 0.167270 K\n0.692629 0.687711 0.832730 K\n0.692997 0.183686 0.164915 K\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.499552 0.747687 0.188717 S\n0.999552 0.252313 0.311283 S\n0.500448 0.252313 0.811283 S\n0.000448 0.747687 0.688717 S\n0.599567 0.828541 0.096906 O\n0.099567 0.171459 0.403094 O\n0.400433 0.171459 0.903094 O\n0.900433 0.828541 0.596906 O\n0.408027 0.658824 0.094523 O\n0.908027 0.341176 0.405477 O\n0.591973 0.341176 0.905477 O\n0.091973 0.658824 0.594523 O\n0.559877 0.606045 0.300401 O\n0.059877 0.393955 0.199599 O\n0.440123 0.393955 0.699599 O\n0.940123 0.606045 0.800401 O\n0.938833 0.114107 0.215164 O\n0.561167 0.114107 0.715164 O\n0.438833 0.885893 0.284836 O\n0.061167 0.885893 0.784836 O\n0.836998 0.976935 0.946297 F\n0.336998 0.023065 0.553703 F\n0.163002 0.023065 0.053703 F\n0.663002 0.976935 0.446297 F\n0.000478 0.237173 0.889720 F\n0.500478 0.762827 0.610280 F\n0.999522 0.762827 0.110280 F\n0.499522 0.237173 0.389720 F\n0.163064 0.522812 0.938754 F\n0.836936 0.477188 0.061246 F\n0.336936 0.522812 0.438754 F\n0.663064 0.477188 0.561246 F\n",
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{
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{
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{
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"elements": [
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],
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"density": 7.293597597220945,
"density_atomic": 0.0353790105639205,
"volume": 2713.473284577968,
"volume_molar": 17.02178965440423,
"formula_full": "Rb8 Th28 Se60",
"formula_reduced": "Rb2Th7Se15",
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"updated_at": "2021-11-28T01:38:54.332000Z",
"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:48:15.773054Z",
"structure_string": "K8 Eu2 P4 Se16\n1.0\n-4.626229 5.173856 9.622701\n4.626229 -5.173856 9.622701\n4.626229 5.173856 -9.622701\nK Eu P Se\n8 2 4 16\ndirect\n0.415703 0.299137 0.883434 K\n0.584297 0.700863 0.116566 K\n0.084297 0.467732 0.383434 K\n0.915703 0.532268 0.616566 K\n0.009609 0.759609 0.250000 K\n0.490391 0.240391 0.250000 K\n0.990391 0.240391 0.750000 K\n0.509609 0.759609 0.750000 K\n0.250000 0.000000 0.250000 Eu\n0.750000 0.000000 0.750000 Eu\n0.870967 0.076259 0.205292 P\n0.129033 0.923741 0.794708 P\n0.629033 0.334326 0.705292 P\n0.370967 0.665675 0.294708 P\n0.097423 0.222514 0.473774 Se\n0.251260 0.777486 0.874909 Se\n0.402577 0.376351 0.625091 Se\n0.248740 0.623649 0.026226 Se\n0.902577 0.777486 0.526226 Se\n0.748740 0.222514 0.125091 Se\n0.597423 0.623649 0.374909 Se\n0.751260 0.376351 0.973774 Se\n0.395684 0.927633 0.531949 Se\n0.604316 0.072367 0.468051 Se\n0.104316 0.136264 0.031949 Se\n0.895684 0.863736 0.968051 Se\n0.242006 0.988391 0.746386 Se\n0.757994 0.011609 0.253614 Se\n0.257994 0.504380 0.246386 Se\n0.742006 0.495620 0.753614 Se\n",
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{
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{
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"structure_string": "Y2 Re8 Si4\n1.0\n7.412954 0.000000 0.000000\n0.000000 7.412954 0.000000\n0.000000 0.000000 4.146088\nY Re Si\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.657800 0.906063 0.000000 Re\n0.157800 0.593937 0.500000 Re\n0.093937 0.342200 0.000000 Re\n0.906063 0.657800 0.000000 Re\n0.406063 0.842200 0.500000 Re\n0.593937 0.157800 0.500000 Re\n0.342200 0.093937 0.000000 Re\n0.842200 0.406063 0.500000 Re\n0.209028 0.790972 0.000000 Si\n0.790972 0.209028 0.000000 Si\n0.709028 0.709028 0.500000 Si\n0.290972 0.290972 0.500000 Si\n",
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]
}