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{
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{
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"formula_full": "Sr1 Ca7 Fe2 Co6 O24",
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{
"id": "mp-1076260",
"created_at": "2022-09-04T14:42:11.335624Z",
"structure_string": "Sr5 Ca3 Fe2 Co6 O24\n1.0\n7.733774 0.000000 0.000000\n0.000000 7.679440 0.000000\n0.000000 0.002606 7.723610\nSr Ca Fe Co O\n5 3 2 6 24\ndirect\n0.500000 0.253165 0.247542 Sr\n0.000000 0.253171 0.247490 Sr\n0.500000 0.253239 0.752852 Sr\n0.000000 0.252895 0.752641 Sr\n0.500000 0.747278 0.753007 Sr\n0.500000 0.743568 0.241463 Ca\n0.000000 0.744247 0.240646 Ca\n0.000000 0.743910 0.759873 Ca\n0.249496 0.998003 0.000817 Fe\n0.750504 0.998003 0.000817 Fe\n0.249256 0.501274 0.000620 Co\n0.750744 0.501274 0.000620 Co\n0.248915 0.995581 0.499302 Co\n0.751085 0.995581 0.499302 Co\n0.249270 0.502041 0.498794 Co\n0.750730 0.502041 0.498794 Co\n0.249429 0.992438 0.255492 O\n0.750571 0.992438 0.255492 O\n0.248297 0.504554 0.235624 O\n0.751703 0.504554 0.235624 O\n0.246707 0.995020 0.744931 O\n0.753293 0.995020 0.744931 O\n0.247266 0.503504 0.765111 O\n0.752734 0.503504 0.765111 O\n0.248880 0.250843 0.000847 O\n0.751120 0.250843 0.000847 O\n0.246832 0.748725 0.002444 O\n0.753168 0.748725 0.002444 O\n0.249157 0.262332 0.499730 O\n0.750843 0.262332 0.499730 O\n0.248598 0.739031 0.498112 O\n0.751402 0.739031 0.498112 O\n0.500000 0.995047 0.002964 O\n0.000000 0.994026 0.001607 O\n0.500000 0.509963 0.004811 O\n0.000000 0.516310 0.001732 O\n0.500000 0.997193 0.497999 O\n0.000000 0.995284 0.499389 O\n0.500000 0.506225 0.492568 O\n0.000000 0.507785 0.499769 O\n",
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"formula_full": "Sr5 Ca3 Fe2 Co6 O24",
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"spacegroup": 6
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{
"id": "mp-617291",
"created_at": "2022-09-04T14:46:15.954205Z",
"structure_string": "Mn10 Ge6\n1.0\n3.566790 -6.177861 0.000000\n3.566790 6.177861 0.000000\n0.000000 0.000000 4.982630\nMn Ge\n10 6\ndirect\n0.242355 0.242355 0.750000 Mn\n0.000000 0.757645 0.750000 Mn\n0.757645 0.000000 0.750000 Mn\n0.242355 0.000000 0.250000 Mn\n0.333333 0.666667 0.000000 Mn\n0.757645 0.757645 0.250000 Mn\n0.666667 0.333333 0.000000 Mn\n0.000000 0.242355 0.250000 Mn\n0.333333 0.666667 0.500000 Mn\n0.666667 0.333333 0.500000 Mn\n0.604825 0.000000 0.250000 Ge\n0.604825 0.604825 0.750000 Ge\n0.000000 0.604825 0.250000 Ge\n0.000000 0.395175 0.750000 Ge\n0.395175 0.395175 0.250000 Ge\n0.395175 0.000000 0.750000 Ge\n",
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"elements": [
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"density": 7.450376294670833,
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"formula_full": "Mn10 Ge6",
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{
"id": "mp-1193684",
"created_at": "2022-09-04T14:42:13.052512Z",
"structure_string": "Fe6 Si4 O18\n1.0\n4.567149 2.675974 0.000000\n-4.567149 2.675974 0.000000\n0.000000 0.313361 14.476290\nFe Si O\n6 4 18\ndirect\n0.000000 0.000000 0.000000 Fe\n0.343755 0.656245 0.000000 Fe\n0.656245 0.343755 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.333860 0.666140 0.500000 Fe\n0.666140 0.333860 0.500000 Fe\n0.996703 0.332765 0.803654 Si\n0.332765 0.996703 0.803654 Si\n0.003297 0.667235 0.196346 Si\n0.667235 0.003297 0.196346 Si\n0.991646 0.329994 0.920284 O\n0.329994 0.991646 0.920284 O\n0.008354 0.670006 0.079716 O\n0.670006 0.008354 0.079716 O\n0.684375 0.684375 0.933333 O\n0.315625 0.315625 0.066667 O\n0.148238 0.666686 0.768241 O\n0.666686 0.148238 0.768241 O\n0.851762 0.333314 0.231759 O\n0.333314 0.851762 0.231759 O\n0.186011 0.186011 0.769129 O\n0.813989 0.813989 0.230871 O\n0.012271 0.681793 0.565595 O\n0.681793 0.012271 0.565595 O\n0.987729 0.318207 0.434405 O\n0.318207 0.987729 0.434405 O\n0.346145 0.346145 0.566357 O\n0.653855 0.653855 0.433643 O\n",
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{
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{
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"structure_string": "Ni12 Se8 O32\n1.0\n6.505556 -11.228496 0.000000\n6.505556 11.228496 0.000000\n0.000000 0.000000 4.829466\nNi Se O\n12 8 32\ndirect\n0.642626 0.567763 0.969721 Ni\n0.432297 0.077640 0.970233 Ni\n0.922627 0.355343 0.970067 Ni\n0.644657 0.077373 0.970067 Ni\n0.432237 0.357374 0.969721 Ni\n0.922360 0.567703 0.970233 Ni\n0.357374 0.432237 0.469721 Ni\n0.567703 0.922360 0.470233 Ni\n0.077373 0.644657 0.470067 Ni\n0.355343 0.922627 0.470067 Ni\n0.567763 0.642626 0.469721 Ni\n0.077640 0.432297 0.470233 Ni\n0.146491 0.853509 0.016770 Se\n0.147179 0.293223 0.016985 Se\n0.706777 0.852821 0.016985 Se\n0.853509 0.146491 0.516770 Se\n0.852821 0.706777 0.516985 Se\n0.293223 0.147179 0.516985 Se\n0.665596 0.334404 0.916739 Se\n0.334404 0.665596 0.416739 Se\n0.204519 0.795481 0.260629 O\n0.204946 0.408689 0.262308 O\n0.591311 0.795054 0.262308 O\n0.795481 0.204519 0.760629 O\n0.795054 0.591311 0.762308 O\n0.408689 0.204946 0.762308 O\n0.938214 0.668489 0.308871 O\n0.331716 0.270011 0.307523 O\n0.730576 0.061651 0.308251 O\n0.938349 0.269424 0.308251 O\n0.331511 0.061786 0.308871 O\n0.729989 0.668284 0.307523 O\n0.061786 0.331511 0.808871 O\n0.668284 0.729989 0.807523 O\n0.269424 0.938349 0.808251 O\n0.061651 0.730576 0.808251 O\n0.668489 0.938214 0.808871 O\n0.270011 0.331716 0.807523 O\n0.401141 0.598859 0.599910 O\n0.400412 0.799547 0.596277 O\n0.200453 0.599588 0.596277 O\n0.598859 0.401141 0.099910 O\n0.599588 0.200453 0.096277 O\n0.799547 0.400412 0.096277 O\n0.480129 0.519871 0.163070 O\n0.485710 0.971150 0.174778 O\n0.028850 0.514290 0.174778 O\n0.519871 0.480129 0.663070 O\n0.514290 0.028850 0.674778 O\n0.971150 0.485710 0.674778 O\n0.999978 0.000022 0.111455 O\n0.000022 0.999978 0.611455 O\n",
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{
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"structure_string": "Li5 Mn6 B6 O18\n1.0\n6.211521 0.000000 0.000000\n-1.396859 7.805613 0.000000\n-2.060243 -4.048106 7.808812\nLi Mn B O\n5 6 6 18\ndirect\n0.444465 0.117854 0.060359 Li\n0.123401 0.783901 0.715045 Li\n0.888487 0.207917 0.277745 Li\n0.555366 0.875033 0.943686 Li\n0.778143 0.456800 0.389003 Li\n0.611618 0.851065 0.283130 Mn\n0.047873 0.795527 0.403476 Mn\n0.712501 0.471420 0.062252 Mn\n0.287292 0.524100 0.923421 Mn\n0.969485 0.212380 0.600472 Mn\n0.384084 0.141824 0.731917 Mn\n0.932203 0.190973 0.942959 B\n0.726947 0.469327 0.732310 B\n0.392828 0.133810 0.398871 B\n0.619208 0.874563 0.600918 B\n0.268880 0.539316 0.259179 B\n0.060022 0.797783 0.065316 B\n0.734108 0.033068 0.017647 O\n0.094077 0.249971 0.775535 O\n0.704123 0.364232 0.637148 O\n0.355665 0.028953 0.309309 O\n0.899032 0.638293 0.664285 O\n0.589575 0.292908 0.327059 O\n0.564547 0.389652 0.903914 O\n0.232447 0.068962 0.570042 O\n0.023950 0.695904 0.972433 O\n0.970111 0.300561 0.030197 O\n0.779210 0.936022 0.430155 O\n0.430521 0.597184 0.090957 O\n0.422577 0.719039 0.671835 O\n0.076279 0.374271 0.337258 O\n0.654675 0.984908 0.687858 O\n0.298083 0.652613 0.341311 O\n0.900421 0.730236 0.236509 O\n0.256367 0.956715 0.994841 O\n",
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}