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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": "Na1 Eu1 Ti8 P12 O48\n1.0\n-4.266330 -7.383542 0.002379\n8.532226 -4.924561 7.335854\n-4.268248 2.459895 7.337231\nNa Eu Ti P O\n1 1 8 12 48\ndirect\n0.999678 0.999782 0.000106 Na\n0.500174 0.500038 0.499979 Eu\n0.000602 0.361413 0.724310 Ti\n0.499618 0.862843 0.225172 Ti\n0.999511 0.638489 0.275759 Ti\n0.500346 0.137198 0.774925 Ti\n0.499214 0.349147 0.199673 Ti\n0.000786 0.855791 0.709733 Ti\n0.500721 0.650884 0.800319 Ti\n0.999281 0.144206 0.289974 Ti\n0.214057 0.243475 0.996763 P\n0.716890 0.744368 0.498638 P\n0.638608 0.391087 0.848916 P\n0.136087 0.891351 0.352156 P\n0.146626 0.607155 0.635557 P\n0.648097 0.105927 0.133857 P\n0.785867 0.756591 0.003352 P\n0.283002 0.255687 0.501386 P\n0.361628 0.608949 0.151149 P\n0.863841 0.108658 0.647545 P\n0.853394 0.392741 0.364425 P\n0.351836 0.894090 0.866252 P\n0.953974 0.484699 0.289271 O\n0.454946 0.984290 0.790022 O\n0.862899 0.666996 0.106989 O\n0.362407 0.167634 0.605282 O\n0.182296 0.621144 0.151222 O\n0.683303 0.122359 0.652174 O\n0.046089 0.515281 0.710810 O\n0.545172 0.015709 0.210105 O\n0.137137 0.333002 0.893124 O\n0.637591 0.832426 0.394863 O\n0.817869 0.378898 0.848830 O\n0.316486 0.877682 0.347875 O\n0.913133 0.822757 0.917205 O\n0.415041 0.324134 0.418199 O\n0.406069 0.501575 0.241790 O\n0.908098 0.002199 0.736906 O\n0.677440 0.417370 0.325330 O\n0.179082 0.914942 0.825702 O\n0.086910 0.177292 0.082852 O\n0.584885 0.675919 0.581886 O\n0.594056 0.498416 0.758255 O\n0.091717 0.997746 0.262847 O\n0.322609 0.582657 0.674599 O\n0.820891 0.085131 0.174086 O\n0.314207 0.303959 0.114014 O\n0.815611 0.800284 0.617471 O\n0.586836 0.401079 0.015563 O\n0.086995 0.900026 0.519520 O\n0.100773 0.715610 0.702545 O\n0.596803 0.214972 0.202288 O\n0.685713 0.696069 0.886063 O\n0.184337 0.199671 0.382683 O\n0.413290 0.598929 0.984485 O\n0.912757 0.099974 0.480204 O\n0.899309 0.284389 0.297240 O\n0.403151 0.785039 0.797832 O\n0.630045 0.115043 0.961399 O\n0.135631 0.610998 0.461906 O\n0.318274 0.167026 0.909161 O\n0.813228 0.662474 0.410968 O\n0.551901 0.299045 0.773614 O\n0.051500 0.795205 0.282688 O\n0.369860 0.884977 0.038557 O\n0.864339 0.388835 0.538064 O\n0.681863 0.833120 0.090866 O\n0.186742 0.337559 0.589075 O\n0.448324 0.700912 0.226419 O\n0.948550 0.204677 0.717209 O\n",
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{
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"structure_string": "Na16 Mo16 N32\n1.0\n5.656099 0.000000 0.000000\n0.000000 11.244832 0.000000\n0.000000 0.000000 15.519688\nNa Mo N\n16 16 32\ndirect\n0.279274 0.999499 0.443731 Na\n0.779274 0.500501 0.556269 Na\n0.720726 0.499499 0.056269 Na\n0.220726 0.000501 0.943731 Na\n0.720726 0.000501 0.556269 Na\n0.220726 0.499499 0.443731 Na\n0.279274 0.500501 0.943731 Na\n0.779274 0.999499 0.056269 Na\n0.234551 0.277245 0.314226 Na\n0.734551 0.222755 0.685774 Na\n0.765449 0.777245 0.185774 Na\n0.265449 0.722755 0.814226 Na\n0.765449 0.722755 0.685774 Na\n0.265449 0.777245 0.314226 Na\n0.234551 0.222755 0.814226 Na\n0.734551 0.277245 0.185774 Na\n0.787782 0.020690 0.308488 Mo\n0.287782 0.479310 0.691512 Mo\n0.212218 0.520690 0.191512 Mo\n0.712218 0.979310 0.808488 Mo\n0.212218 0.979310 0.691512 Mo\n0.712218 0.520690 0.308488 Mo\n0.787782 0.479310 0.808488 Mo\n0.287782 0.020690 0.191512 Mo\n0.727324 0.271612 0.432136 Mo\n0.227324 0.228388 0.567864 Mo\n0.272676 0.771612 0.067864 Mo\n0.772676 0.728388 0.932136 Mo\n0.272676 0.728388 0.567864 Mo\n0.772676 0.771612 0.432136 Mo\n0.727324 0.228388 0.932136 Mo\n0.227324 0.271612 0.067864 Mo\n0.997547 0.311385 0.503349 N\n0.497547 0.188615 0.496651 N\n0.002453 0.811385 0.996651 N\n0.502453 0.688615 0.003349 N\n0.002453 0.688615 0.496651 N\n0.502453 0.811385 0.503349 N\n0.997547 0.188615 0.003349 N\n0.497547 0.311385 0.996651 N\n0.592988 0.418399 0.397226 N\n0.092988 0.081601 0.602774 N\n0.407012 0.918399 0.102774 N\n0.907012 0.581601 0.897226 N\n0.407012 0.581601 0.602774 N\n0.907012 0.918399 0.397226 N\n0.592988 0.081601 0.897226 N\n0.092988 0.418399 0.102774 N\n0.834633 0.185602 0.333408 N\n0.334633 0.314398 0.666592 N\n0.165367 0.685602 0.166592 N\n0.665367 0.814398 0.833408 N\n0.165367 0.814398 0.666592 N\n0.665367 0.685602 0.333408 N\n0.834633 0.314398 0.833408 N\n0.334633 0.185602 0.166592 N\n0.541547 0.488903 0.204753 N\n0.041547 0.011097 0.795247 N\n0.458453 0.988903 0.295247 N\n0.958453 0.511097 0.704753 N\n0.458453 0.511097 0.795247 N\n0.958453 0.988903 0.204753 N\n0.541547 0.011097 0.704753 N\n0.041547 0.488903 0.295247 N\n",
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{
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{
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{
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"structure_string": "Fe4 Se8 O24\n1.0\n10.041153 0.000000 0.000000\n0.000000 6.633905 0.000000\n0.000000 0.083749 8.178440\nFe Se O\n4 8 24\ndirect\n0.506324 0.552026 0.302134 Fe\n0.006324 0.447974 0.197866 Fe\n0.493676 0.447974 0.697866 Fe\n0.993676 0.552026 0.802134 Fe\n0.916505 0.940477 0.220285 Se\n0.416505 0.059523 0.279715 Se\n0.083495 0.059523 0.779715 Se\n0.583495 0.940477 0.720285 Se\n0.710855 0.407889 0.021521 Se\n0.210855 0.592111 0.478479 Se\n0.289145 0.592111 0.978479 Se\n0.789145 0.407889 0.521521 Se\n0.034069 0.753749 0.230138 O\n0.534069 0.246251 0.269862 O\n0.965931 0.246251 0.769862 O\n0.465931 0.753749 0.730138 O\n0.850898 0.978861 0.404152 O\n0.350898 0.021139 0.095848 O\n0.149102 0.021139 0.595848 O\n0.649102 0.978861 0.904152 O\n0.002935 0.147152 0.149747 O\n0.502935 0.852848 0.350253 O\n0.997065 0.852848 0.850253 O\n0.497065 0.147152 0.649747 O\n0.624512 0.598831 0.114406 O\n0.124512 0.401169 0.385594 O\n0.375488 0.401169 0.885594 O\n0.875488 0.598831 0.614406 O\n0.871669 0.521334 0.003334 O\n0.371669 0.478666 0.496666 O\n0.128331 0.478666 0.996666 O\n0.628331 0.521334 0.503334 O\n0.663090 0.437617 0.821743 O\n0.163090 0.562383 0.678257 O\n0.336910 0.562383 0.178257 O\n0.836910 0.437617 0.321743 O\n",
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{
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"updated_at": "2021-11-28T01:34:33.082000Z",
"spacegroup": 12
},
{
"id": "mp-1200714",
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"structure_string": "Yb12 Ge52 Pt16\n1.0\n12.906412 0.000000 0.000000\n0.000000 12.906412 0.000000\n0.000000 0.000000 9.092874\nYb Ge Pt\n12 52 16\ndirect\n0.000000 0.000000 0.999502 Yb\n0.000000 0.000000 0.499502 Yb\n0.500000 0.500000 0.001913 Yb\n0.500000 0.500000 0.501913 Yb\n0.127873 0.377328 0.258378 Yb\n0.872127 0.622672 0.258378 Yb\n0.377328 0.872127 0.758378 Yb\n0.622672 0.127873 0.758378 Yb\n0.872127 0.377328 0.758378 Yb\n0.127873 0.622672 0.758378 Yb\n0.622672 0.872127 0.258378 Yb\n0.377328 0.127873 0.258378 Yb\n0.171194 0.171194 0.105033 Ge\n0.828806 0.828806 0.105033 Ge\n0.171194 0.828806 0.605033 Ge\n0.828806 0.171194 0.605033 Ge\n0.247094 0.247094 0.757732 Ge\n0.752906 0.752906 0.757732 Ge\n0.247094 0.752906 0.257732 Ge\n0.752906 0.247094 0.257732 Ge\n0.172512 0.172512 0.412448 Ge\n0.827488 0.827488 0.412448 Ge\n0.172512 0.827488 0.912448 Ge\n0.827488 0.172512 0.912448 Ge\n0.314576 0.314576 0.036316 Ge\n0.685424 0.685424 0.036316 Ge\n0.314576 0.685424 0.536316 Ge\n0.685424 0.314576 0.536316 Ge\n0.310909 0.310909 0.510256 Ge\n0.689091 0.689091 0.510256 Ge\n0.310909 0.689091 0.010256 Ge\n0.689091 0.310909 0.010256 Ge\n0.119976 0.616365 0.370986 Ge\n0.880024 0.383635 0.370986 Ge\n0.616365 0.880024 0.870986 Ge\n0.383635 0.119976 0.870986 Ge\n0.880024 0.616365 0.870986 Ge\n0.119976 0.383635 0.870986 Ge\n0.383635 0.880024 0.370986 Ge\n0.616365 0.119976 0.370986 Ge\n0.344408 0.498525 0.255250 Ge\n0.655592 0.501475 0.255250 Ge\n0.498525 0.655592 0.755250 Ge\n0.501475 0.344408 0.755250 Ge\n0.655592 0.498525 0.755250 Ge\n0.344408 0.501475 0.755250 Ge\n0.501475 0.655592 0.255250 Ge\n0.498525 0.344408 0.255250 Ge\n0.075065 0.574391 0.090312 Ge\n0.924935 0.425609 0.090312 Ge\n0.574391 0.924935 0.590312 Ge\n0.425609 0.075065 0.590312 Ge\n0.924935 0.574391 0.590312 Ge\n0.075065 0.425609 0.590312 Ge\n0.425609 0.924935 0.090312 Ge\n0.574391 0.075065 0.090312 Ge\n0.040997 0.178518 0.752151 Ge\n0.959003 0.821482 0.752151 Ge\n0.178518 0.959003 0.252151 Ge\n0.821482 0.040997 0.252151 Ge\n0.959003 0.178518 0.252151 Ge\n0.040997 0.821482 0.252151 Ge\n0.821482 0.959003 0.752151 Ge\n0.178518 0.040997 0.752151 Ge\n0.250835 0.501021 0.004721 Pt\n0.749165 0.498979 0.004721 Pt\n0.501021 0.749165 0.504721 Pt\n0.498979 0.250835 0.504721 Pt\n0.749165 0.501021 0.504721 Pt\n0.250835 0.498979 0.504721 Pt\n0.498979 0.749165 0.004721 Pt\n0.501021 0.250835 0.004721 Pt\n0.001800 0.251172 0.004267 Pt\n0.998200 0.748828 0.004267 Pt\n0.251172 0.998200 0.504267 Pt\n0.748828 0.001800 0.504267 Pt\n0.998200 0.251172 0.504267 Pt\n0.001800 0.748828 0.504267 Pt\n0.748828 0.998200 0.004267 Pt\n0.251172 0.001800 0.004267 Pt\n",
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],
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"density": 9.839575555053496,
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"volume": 1514.6497666907642,
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"formula_full": "Yb12 Ge52 Pt16",
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"updated_at": "2021-11-28T01:34:29.376000Z",
"spacegroup": 101
},
{
"id": "mp-1111072",
"created_at": "2022-09-04T14:39:11.803365Z",
"structure_string": "Li3 Mn1 F6\n1.0\n5.489198 0.000000 0.000000\n2.744599 4.753785 0.000000\n2.744599 1.584595 4.481911\nLi Mn F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.248184 0.751816 0.248184 F\n0.751816 0.751816 0.248184 F\n0.751816 0.248184 0.751816 F\n0.751816 0.248184 0.248184 F\n0.248184 0.751816 0.751816 F\n0.248184 0.248184 0.751816 F\n",
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"formula_full": "Li3 Mn1 F6",
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}
]
}