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{
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{
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"formula_full": "Li8 Ti4 Co12 O32",
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{
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"created_at": "2022-09-04T14:40:13.669435Z",
"structure_string": "Ba8 Y4 Br28\n1.0\n13.409856 0.000000 0.000000\n0.000000 8.623697 0.000000\n0.000000 7.968122 14.340066\nBa Y Br\n8 4 28\ndirect\n0.237054 0.808881 0.476815 Ba\n0.363937 0.413819 0.783055 Ba\n0.863937 0.586181 0.716945 Ba\n0.262946 0.808881 0.976815 Ba\n0.737054 0.191119 0.023185 Ba\n0.136063 0.413819 0.283055 Ba\n0.636063 0.586181 0.216945 Ba\n0.762946 0.191119 0.523185 Ba\n0.701065 0.950331 0.323018 Y\n0.798935 0.950331 0.823018 Y\n0.201065 0.049669 0.176982 Y\n0.298935 0.049669 0.676982 Y\n0.559262 0.985638 0.187653 Br\n0.826716 0.851347 0.219335 Br\n0.270682 0.704297 0.312964 Br\n0.409485 0.841532 0.615903 Br\n0.940738 0.985638 0.687653 Br\n0.084263 0.609520 0.639104 Br\n0.816178 0.851729 0.486717 Br\n0.366801 0.409477 0.582409 Br\n0.673284 0.851347 0.719335 Br\n0.229318 0.704297 0.812964 Br\n0.866801 0.590523 0.917591 Br\n0.316178 0.148271 0.013283 Br\n0.584263 0.390480 0.860896 Br\n0.090515 0.841532 0.115903 Br\n0.909485 0.158468 0.884097 Br\n0.415737 0.609520 0.139104 Br\n0.683822 0.851729 0.986717 Br\n0.133199 0.409477 0.082409 Br\n0.770682 0.295703 0.187036 Br\n0.326716 0.148653 0.280665 Br\n0.633199 0.590523 0.417591 Br\n0.183822 0.148271 0.513283 Br\n0.915737 0.390480 0.360896 Br\n0.059262 0.014362 0.312347 Br\n0.590515 0.158468 0.384097 Br\n0.729318 0.295703 0.687036 Br\n0.173284 0.148653 0.780665 Br\n0.440738 0.014362 0.812347 Br\n",
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{
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"created_at": "2022-09-04T14:40:13.670921Z",
"structure_string": "La2 Mg2 Ti2 S8\n1.0\n6.999775 -0.011559 4.048408\n2.338923 6.261548 4.020464\n0.187958 0.099351 7.770581\nLa Mg Ti S\n2 2 2 8\ndirect\n0.500011 0.499999 0.499964 La\n0.000029 0.499996 0.499994 La\n0.876059 0.874023 0.873944 Mg\n0.123872 0.126046 0.126120 Mg\n0.499998 0.499996 0.999987 Ti\n0.500008 0.999988 0.500011 Ti\n0.709740 0.759259 0.759626 S\n0.273062 0.217866 0.735793 S\n0.273263 0.735810 0.217630 S\n0.728793 0.240757 0.240266 S\n0.726701 0.264194 0.782347 S\n0.271213 0.759229 0.759721 S\n0.290285 0.240714 0.240376 S\n0.726970 0.782118 0.264222 S\n",
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"formula_full": "La2 Mg2 Ti2 S8",
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{
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"structure_string": "Zn1 Ag2 Ge1 S4\n1.0\n-2.899352 2.899352 5.262471\n2.899352 -2.899352 5.262471\n2.899352 2.899352 -5.262471\nZn Ag Ge S\n1 2 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Ge\n0.088478 0.116318 0.450017 S\n0.666301 0.638461 0.549983 S\n0.883682 0.333699 0.972160 S\n0.361539 0.911522 0.027840 S\n",
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{
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{
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"structure_string": "Ta12 Mn4 Fe2 O36\n1.0\n3.424396 9.961122 0.000000\n-3.424396 9.961122 0.000000\n0.000000 6.453994 9.617454\nTa Mn Fe O\n12 4 2 36\ndirect\n0.112199 0.112199 0.609747 Ta\n0.443791 0.443791 0.944645 Ta\n0.776548 0.776548 0.277709 Ta\n0.110284 0.110284 0.111352 Ta\n0.443710 0.443710 0.442930 Ta\n0.776743 0.776743 0.776788 Ta\n0.887801 0.887801 0.390253 Ta\n0.223452 0.223452 0.722291 Ta\n0.556209 0.556209 0.055355 Ta\n0.223257 0.223257 0.223212 Ta\n0.556290 0.556290 0.557070 Ta\n0.889716 0.889716 0.888648 Ta\n0.666452 0.666452 0.166257 Mn\n0.333548 0.333548 0.833743 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666377 0.666377 0.667453 Fe\n0.333623 0.333623 0.332547 Fe\n0.398792 0.813921 0.606156 O\n0.731236 0.146554 0.940467 O\n0.065599 0.480390 0.271727 O\n0.813921 0.398792 0.606156 O\n0.146554 0.731236 0.940467 O\n0.480390 0.065599 0.271727 O\n0.007182 0.007182 0.300752 O\n0.342082 0.342082 0.634499 O\n0.674803 0.674803 0.967978 O\n0.869768 0.869768 0.577414 O\n0.203803 0.203803 0.910402 O\n0.536696 0.536696 0.243142 O\n0.601208 0.186079 0.393844 O\n0.934401 0.519610 0.728273 O\n0.268764 0.853446 0.059533 O\n0.186079 0.601208 0.393844 O\n0.519610 0.934401 0.728273 O\n0.853446 0.268764 0.059533 O\n0.992818 0.992818 0.699248 O\n0.325197 0.325197 0.032022 O\n0.657918 0.657918 0.365501 O\n0.130232 0.130232 0.422586 O\n0.463304 0.463304 0.756858 O\n0.796197 0.796197 0.089598 O\n0.982463 0.349898 0.167061 O\n0.650102 0.017537 0.832939 O\n0.316524 0.683476 0.500000 O\n0.349898 0.982463 0.167061 O\n0.017537 0.650102 0.832939 O\n0.683476 0.316524 0.500000 O\n0.893372 0.893372 0.211945 O\n0.562332 0.562332 0.875015 O\n0.230838 0.230838 0.539851 O\n0.769162 0.769162 0.460149 O\n0.437668 0.437668 0.124985 O\n0.106628 0.106628 0.788055 O\n",
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{
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}