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{
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{
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{
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"formula_full": "Rb8 Ti6 S28",
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{
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"created_at": "2022-09-04T14:44:03.792729Z",
"structure_string": "Rb2 P2 O6\n1.0\n3.036882 -6.691234 0.000000\n3.036882 6.691234 0.000000\n0.000000 0.000000 4.862531\nRb P O\n2 2 6\ndirect\n0.343884 0.656116 0.250000 Rb\n0.656116 0.343884 0.750000 Rb\n0.077603 0.922397 0.250000 P\n0.922397 0.077603 0.750000 P\n0.078884 0.347671 0.750000 O\n0.652329 0.921116 0.750000 O\n0.921116 0.652329 0.250000 O\n0.347671 0.078884 0.250000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Na6 Si6 N10\n1.0\n5.357458 -0.129838 0.254012\n-0.762746 6.742563 -0.001935\n-1.468679 -2.670465 7.364641\nNa Si N\n6 6 10\ndirect\n0.833195 0.430692 0.619072 Na\n0.166805 0.569308 0.380928 Na\n0.647006 0.834399 0.897441 Na\n0.352994 0.165601 0.102559 Na\n0.654124 0.617275 0.219422 Na\n0.345876 0.382725 0.780578 Na\n0.919057 0.318637 0.979044 Si\n0.080943 0.681363 0.020956 Si\n0.692445 0.956773 0.584836 Si\n0.307555 0.043227 0.415164 Si\n0.099506 0.888210 0.712081 Si\n0.900494 0.111790 0.287919 Si\n0.929381 0.110069 0.775621 N\n0.070619 0.889931 0.224379 N\n0.833282 0.738774 0.545407 N\n0.166718 0.261226 0.454593 N\n0.777619 0.515290 0.925817 N\n0.222381 0.484710 0.074183 N\n0.361453 0.948756 0.601614 N\n0.638547 0.051244 0.398386 N\n0.205136 0.795903 0.876445 N\n0.794864 0.204097 0.123555 N\n",
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{
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"structure_string": "Li1 Ti3 V1 P6 O24\n1.0\n7.645311 -4.301579 0.000000\n7.645311 4.301579 0.000000\n5.225059 0.000000 7.046498\nLi Ti V P O\n1 3 1 6 24\ndirect\n0.001324 0.001324 0.001324 Li\n0.144694 0.144694 0.144694 Ti\n0.360852 0.360852 0.360852 Ti\n0.638978 0.638978 0.638978 Ti\n0.855206 0.855206 0.855206 V\n0.750747 0.032542 0.463142 P\n0.032542 0.463142 0.750747 P\n0.463142 0.750747 0.032542 P\n0.538762 0.246465 0.966808 P\n0.966808 0.538762 0.246465 P\n0.246465 0.966808 0.538762 P\n0.273734 0.139523 0.510089 O\n0.510089 0.273734 0.139523 O\n0.923226 0.059007 0.279859 O\n0.139523 0.510089 0.273734 O\n0.577019 0.213295 0.445175 O\n0.789196 0.997013 0.637402 O\n0.059007 0.279859 0.923226 O\n0.213295 0.445175 0.577019 O\n0.445175 0.577019 0.213295 O\n0.368909 0.211361 0.996688 O\n0.724598 0.071148 0.937250 O\n0.996688 0.368909 0.211361 O\n0.997013 0.637402 0.789196 O\n0.279859 0.923226 0.059007 O\n0.637402 0.789196 0.997013 O\n0.566214 0.417592 0.784963 O\n0.784963 0.566214 0.417592 O\n0.937250 0.724598 0.071148 O\n0.211361 0.996688 0.368909 O\n0.417592 0.784963 0.566214 O\n0.860813 0.496859 0.719547 O\n0.071148 0.937250 0.724598 O\n0.496859 0.719547 0.860813 O\n0.719547 0.860813 0.496859 O\n",
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{
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{
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{
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{
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"structure_string": "K2 Rb1 Y1 Br6\n1.0\n0.000000 6.036308 6.036308\n6.036308 0.000000 6.036308\n6.036308 6.036308 0.000000\nK Rb Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.768720 0.231280 0.231280 Br\n0.231280 0.231280 0.768720 Br\n0.231280 0.768720 0.768720 Br\n0.231280 0.768720 0.231280 Br\n0.768720 0.231280 0.768720 Br\n0.768720 0.768720 0.231280 Br\n",
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{
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"structure_string": "Mg4 H16 Se4 O20\n1.0\n-6.456322 0.000000 1.026869\n0.037456 0.000000 -7.774941\n0.000000 -8.975752 0.000000\nMg H Se O\n4 16 4 20\ndirect\n0.844980 0.012955 0.138542 Mg\n0.344980 0.512955 0.361458 Mg\n0.155020 0.987045 0.861458 Mg\n0.655020 0.487045 0.638542 Mg\n0.066772 0.143379 0.361834 H\n0.566772 0.643379 0.138166 H\n0.933228 0.856621 0.638166 H\n0.433228 0.356621 0.861834 H\n0.831639 0.128770 0.423615 H\n0.331639 0.628770 0.076385 H\n0.168361 0.871230 0.576385 H\n0.668361 0.371230 0.923615 H\n0.985592 0.296010 0.986981 H\n0.485592 0.796010 0.513019 H\n0.014408 0.703990 0.013019 H\n0.514408 0.203990 0.486981 H\n0.931310 0.370695 0.145927 H\n0.431310 0.870695 0.354073 H\n0.068690 0.629305 0.854073 H\n0.568690 0.129305 0.645927 H\n0.602624 0.836588 0.844571 Se\n0.102624 0.336588 0.655429 Se\n0.397376 0.163412 0.155429 Se\n0.897376 0.663412 0.344571 Se\n0.678181 0.764324 0.672590 O\n0.178181 0.264324 0.827410 O\n0.321819 0.235676 0.327410 O\n0.821819 0.735676 0.172591 O\n0.464564 0.998794 0.795254 O\n0.964564 0.498794 0.704746 O\n0.535436 0.001206 0.204746 O\n0.035436 0.501206 0.295254 O\n0.830633 0.959431 0.910405 O\n0.330633 0.459431 0.589595 O\n0.169367 0.040569 0.089595 O\n0.669367 0.540569 0.410405 O\n0.922115 0.079758 0.353029 O\n0.422115 0.579758 0.146971 O\n0.077885 0.920242 0.646971 O\n0.577885 0.420242 0.853029 O\n0.875466 0.288224 0.063823 O\n0.375466 0.788224 0.436177 O\n0.124534 0.711776 0.936177 O\n0.624534 0.211776 0.563823 O\n",
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}