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{
"id": "mp-1247442",
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"structure_string": "K6 Si6 N10\n1.0\n5.562619 -0.299294 0.363231\n-0.996091 7.149024 0.152270\n-1.318640 -2.607047 7.698065\nK Si N\n6 6 10\ndirect\n0.833447 0.428392 0.614571 K\n0.166553 0.571608 0.385429 K\n0.628939 0.824962 0.910407 K\n0.371061 0.175038 0.089593 K\n0.647589 0.620225 0.243817 K\n0.352411 0.379775 0.756183 K\n0.932533 0.323152 0.982544 Si\n0.067467 0.676848 0.017456 Si\n0.686708 0.974790 0.594303 Si\n0.313292 0.025210 0.405697 Si\n0.076107 0.905578 0.717023 Si\n0.923893 0.094422 0.282977 Si\n0.917889 0.122650 0.777541 N\n0.082111 0.877350 0.222459 N\n0.817197 0.773937 0.569516 N\n0.182803 0.226063 0.430484 N\n0.781361 0.502220 0.945248 N\n0.218639 0.497780 0.054752 N\n0.353569 0.958806 0.603648 N\n0.646431 0.041194 0.396352 N\n0.151131 0.799816 0.868319 N\n0.848869 0.200184 0.131681 N\n",
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{
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"structure_string": "Li6 Mn5 Fe1 B6 O18\n1.0\n3.184144 8.262072 0.000000\n-3.184144 8.262072 0.000000\n0.000000 4.131060 7.170945\nLi Mn Fe B O\n6 5 1 6 18\ndirect\n0.758378 0.259156 0.283723 Li\n0.259156 0.758378 0.283723 Li\n0.598838 0.100093 0.016756 Li\n0.100093 0.598838 0.016756 Li\n0.891183 0.392318 0.698370 Li\n0.392318 0.891183 0.698370 Li\n0.820548 0.820548 0.371090 Mn\n0.320063 0.320063 0.371586 Mn\n0.993951 0.993951 0.641196 Mn\n0.185721 0.185721 0.988022 Mn\n0.685819 0.685819 0.988234 Mn\n0.495853 0.495853 0.639996 Fe\n0.418285 0.914240 0.334288 B\n0.914240 0.418285 0.334288 B\n0.582884 0.085160 0.666474 B\n0.085160 0.582884 0.666474 B\n0.000018 0.000018 0.000193 B\n0.499056 0.499056 0.999526 B\n0.539487 0.539487 0.112289 O\n0.039045 0.039045 0.115768 O\n0.958900 0.459364 0.140957 O\n0.459364 0.958900 0.140957 O\n0.903193 0.903193 0.077954 O\n0.402374 0.402374 0.079306 O\n0.323496 0.815150 0.442251 O\n0.815150 0.323496 0.442251 O\n0.970087 0.470373 0.419842 O\n0.470373 0.970087 0.419842 O\n0.624411 0.125174 0.472939 O\n0.125174 0.624411 0.472939 O\n0.555375 0.555375 0.805121 O\n0.057894 0.057894 0.806814 O\n0.487458 0.986472 0.777878 O\n0.986472 0.487458 0.777878 O\n0.637516 0.142651 0.747975 O\n0.142651 0.637516 0.747975 O\n",
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{
"id": "mp-728897",
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"structure_string": "K8 P8 O32\n1.0\n14.889938 0.000000 0.000000\n0.000000 7.357924 0.000000\n0.000000 0.227772 7.726165\nK P O\n8 8 32\ndirect\n0.618179 0.365353 0.773872 K\n0.118179 0.634647 0.226128 K\n0.612353 0.670556 0.275894 K\n0.112353 0.329444 0.724106 K\n0.895623 0.206854 0.363653 K\n0.395623 0.793146 0.636347 K\n0.879536 0.906907 0.865152 K\n0.379536 0.093093 0.134848 K\n0.632915 0.178865 0.268556 P\n0.132915 0.821135 0.731444 P\n0.628448 0.869340 0.776235 P\n0.128448 0.130660 0.223765 P\n0.873022 0.405330 0.863864 P\n0.373022 0.594670 0.136136 P\n0.866295 0.714058 0.364303 P\n0.366295 0.285942 0.635697 P\n0.663376 0.316130 0.125239 O\n0.163376 0.683870 0.874761 O\n0.715672 0.085153 0.353720 O\n0.215672 0.914847 0.646280 O\n0.588736 0.288100 0.413524 O\n0.088736 0.711900 0.586476 O\n0.567369 0.039606 0.195809 O\n0.067369 0.960394 0.804191 O\n0.545913 0.978225 0.836973 O\n0.045913 0.021775 0.163027 O\n0.593334 0.747275 0.633710 O\n0.093334 0.252725 0.366290 O\n0.669192 0.757258 0.930162 O\n0.169192 0.242742 0.069838 O\n0.707402 0.994419 0.720163 O\n0.207402 0.005581 0.279837 O\n0.946727 0.531613 0.934722 O\n0.446727 0.468387 0.065278 O\n0.791793 0.513047 0.790234 O\n0.291793 0.486953 0.209766 O\n0.842669 0.276449 0.014379 O\n0.342669 0.723551 0.985621 O\n0.913125 0.294907 0.716674 O\n0.413125 0.705093 0.283326 O\n0.938131 0.582386 0.300039 O\n0.438131 0.417614 0.699961 O\n0.907573 0.829996 0.506531 O\n0.407573 0.170004 0.493469 O\n0.832179 0.841207 0.215020 O\n0.332179 0.158793 0.784980 O\n0.784138 0.605147 0.431674 O\n0.284138 0.394853 0.568326 O\n",
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"formula_full": "K8 P8 O32",
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{
"id": "mp-209",
"created_at": "2022-09-04T14:40:44.166216Z",
"structure_string": "Er8 Se12\n1.0\n0.000000 5.730409 12.171977\n4.091573 0.000000 12.171977\n4.091573 5.730409 0.000000\nEr Se\n8 12\ndirect\n0.752672 0.752672 0.247328 Er\n0.247328 0.247328 0.752672 Er\n0.497328 0.497328 0.002672 Er\n0.002672 0.002672 0.497328 Er\n0.416165 0.416165 0.583835 Er\n0.583835 0.583835 0.416165 Er\n0.833835 0.833835 0.666165 Er\n0.666165 0.666165 0.833835 Er\n0.673761 0.164238 0.819964 Se\n0.342037 0.819964 0.164238 Se\n0.819964 0.342037 0.673761 Se\n0.164238 0.673761 0.342037 Se\n0.576239 0.085762 0.430036 Se\n0.907963 0.430036 0.085762 Se\n0.430036 0.907963 0.576239 Se\n0.085762 0.576239 0.907963 Se\n0.992232 0.507768 0.507768 Se\n0.507768 0.992232 0.992232 Se\n0.257768 0.742232 0.742232 Se\n0.742232 0.257768 0.257768 Se\n",
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"elements": [
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"density": 6.64937401205763,
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"volume": 570.7777603464926,
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"formula_full": "Er8 Se12",
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{
"id": "mp-776110",
"created_at": "2022-09-04T14:40:44.169909Z",
"structure_string": "Si12 Sn12 O36\n1.0\n7.049169 0.000000 0.000000\n0.000000 11.394763 0.000000\n0.000000 6.538132 11.349816\nSi Sn O\n12 12 36\ndirect\n0.594291 0.138502 0.892865 Si\n0.875381 0.462034 0.654962 Si\n0.814767 0.748614 0.459955 Si\n0.875381 0.537966 0.845038 Si\n0.594291 0.861498 0.607135 Si\n0.814767 0.251386 0.040045 Si\n0.185233 0.748614 0.959955 Si\n0.405709 0.138502 0.392865 Si\n0.124619 0.462034 0.154962 Si\n0.185233 0.251386 0.540045 Si\n0.124619 0.537966 0.345038 Si\n0.405709 0.861498 0.107135 Si\n0.386765 0.425795 0.663258 Sn\n0.948017 0.866211 0.180234 Sn\n0.309266 0.790047 0.397376 Sn\n0.386765 0.574205 0.836742 Sn\n0.051983 0.866211 0.680234 Sn\n0.309266 0.209953 0.102624 Sn\n0.690734 0.790047 0.897376 Sn\n0.948017 0.133789 0.319766 Sn\n0.613235 0.425795 0.163258 Sn\n0.690734 0.209953 0.602624 Sn\n0.051983 0.133789 0.819766 Sn\n0.613235 0.574205 0.336742 Sn\n0.425104 0.246091 0.826516 O\n0.756242 0.186929 0.956391 O\n0.705741 0.393368 0.616354 O\n0.057153 0.360551 0.710730 O\n0.940222 0.609676 0.542114 O\n0.777442 0.500000 0.750000 O\n0.940222 0.390324 0.957886 O\n0.623480 0.714198 0.408274 O\n0.500000 0.000000 0.000000 O\n0.277533 0.890536 0.198969 O\n0.953121 0.853972 0.352343 O\n0.057153 0.639449 0.789270 O\n0.705741 0.606632 0.883646 O\n0.756242 0.813071 0.543609 O\n0.425104 0.753909 0.673484 O\n0.953121 0.146028 0.147657 O\n0.376520 0.714198 0.908274 O\n0.277533 0.109464 0.301031 O\n0.500000 0.000000 0.500000 O\n0.722467 0.890536 0.698969 O\n0.623480 0.285802 0.091726 O\n0.046879 0.853972 0.852343 O\n0.574896 0.246091 0.326516 O\n0.243758 0.186929 0.456391 O\n0.294259 0.393368 0.116354 O\n0.942847 0.360551 0.210730 O\n0.046879 0.146028 0.647657 O\n0.722467 0.109464 0.801031 O\n0.376520 0.285802 0.591726 O\n0.059778 0.609676 0.042114 O\n0.222558 0.500000 0.250000 O\n0.059778 0.390324 0.457886 O\n0.942847 0.639449 0.289270 O\n0.294259 0.606632 0.383646 O\n0.243758 0.813071 0.043609 O\n0.574896 0.753909 0.173484 O\n",
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"formula_full": "Si12 Sn12 O36",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.903723 0.000000 0.000000\n0.000000 9.852144 0.000000\n0.000000 1.717351 10.084186\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.269584 0.867553 Li\n0.500000 0.736856 0.634899 Li\n0.500000 0.249144 0.373818 Li\n0.000000 0.256833 0.621239 Li\n0.000000 0.744908 0.379889 Li\n0.000000 0.263383 0.124532 Li\n0.500000 0.742265 0.126128 Li\n0.000000 0.740867 0.875034 Li\n0.000000 0.497412 0.749553 Li\n0.000000 0.998953 0.002107 Mn\n0.500000 0.496092 0.507991 Mn\n0.000000 0.000208 0.498250 Co\n0.000000 0.499060 0.245243 Co\n0.500000 0.001038 0.256097 Co\n0.500000 0.508548 0.979401 Co\n0.500000 0.000144 0.747473 Co\n0.500000 0.111076 0.052262 O\n0.500000 0.624721 0.822530 O\n0.500000 0.114345 0.558492 O\n0.000000 0.101932 0.818406 O\n0.000000 0.610074 0.555569 O\n0.000000 0.117954 0.310592 O\n0.500000 0.609635 0.319782 O\n0.000000 0.613409 0.064709 O\n0.500000 0.382084 0.671093 O\n0.500000 0.880973 0.440035 O\n0.500000 0.385013 0.192443 O\n0.000000 0.390066 0.441870 O\n0.000000 0.890686 0.178451 O\n0.000000 0.383574 0.943317 O\n0.500000 0.888566 0.949231 O\n0.000000 0.890598 0.692008 O\n",
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{
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"structure_string": "La10 Cu2 Ge6\n1.0\n4.638941 -8.034881 0.000000\n4.638941 8.034881 0.000000\n0.000000 0.000000 6.782323\nLa Cu Ge\n10 2 6\ndirect\n0.270260 0.000000 0.250000 La\n0.729740 0.000000 0.750000 La\n0.000000 0.270260 0.250000 La\n0.000000 0.729740 0.750000 La\n0.729740 0.729740 0.250000 La\n0.270260 0.270260 0.750000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.619145 0.000000 0.250000 Ge\n0.380855 0.000000 0.750000 Ge\n0.000000 0.619145 0.250000 Ge\n0.000000 0.380855 0.750000 Ge\n0.380855 0.380855 0.250000 Ge\n0.619145 0.619145 0.750000 Ge\n",
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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": "Li4 Mn1 Co3 P4 O16\n1.0\n6.015330 0.000000 0.000000\n0.000000 4.759883 0.000000\n0.000000 0.007280 10.351829\nLi Mn Co P O\n4 1 3 4 16\ndirect\n0.250356 0.000374 0.998725 Li\n0.749644 0.000374 0.998725 Li\n0.748869 0.499610 0.500842 Li\n0.251131 0.499610 0.500842 Li\n0.000000 0.973461 0.280184 Mn\n0.500000 0.025722 0.721070 Co\n0.500000 0.476977 0.218860 Co\n0.000000 0.522745 0.779931 Co\n0.000000 0.086396 0.596098 P\n0.000000 0.415773 0.091135 P\n0.500000 0.587700 0.905803 P\n0.500000 0.910287 0.407321 P\n0.000000 0.210174 0.457547 O\n0.205264 0.222846 0.666797 O\n0.794736 0.222846 0.666797 O\n0.500000 0.232856 0.401267 O\n0.500000 0.264848 0.901748 O\n0.206010 0.281748 0.162006 O\n0.793990 0.281748 0.162006 O\n0.000000 0.292181 0.952053 O\n0.500000 0.707713 0.045352 O\n0.704992 0.725583 0.834969 O\n0.295008 0.725583 0.834969 O\n0.000000 0.737886 0.094214 O\n0.000000 0.763095 0.598820 O\n0.702217 0.769025 0.337047 O\n0.297783 0.769025 0.337047 O\n0.500000 0.793812 0.547823 O\n",
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}