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{
"id": "mp-7323",
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"structure_string": "Rb1 Be2 B1 O3 F2\n1.0\n6.942538 -2.236179 0.000000\n6.942538 2.236179 0.000000\n6.222269 0.000000 3.805615\nRb Be B O F\n1 2 1 3 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.805556 0.805556 0.805556 Be\n0.194444 0.194444 0.194444 Be\n0.500000 0.500000 0.500000 B\n0.191252 0.808748 0.500000 O\n0.500000 0.191252 0.808748 O\n0.808748 0.500000 0.191252 O\n0.729938 0.729938 0.729938 F\n0.270062 0.270062 0.270062 F\n",
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{
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{
"id": "mp-554947",
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"structure_string": "Na6 Si6 B6 O24\n1.0\n4.067380 -7.044909 0.000000\n4.067380 7.044909 0.000000\n0.000000 0.000000 7.786419\nNa Si B O\n6 6 6 24\ndirect\n0.000000 0.000000 0.231346 Na\n0.333333 0.666667 0.268500 Na\n0.666667 0.333333 0.768500 Na\n0.666667 0.333333 0.201053 Na\n0.000000 0.000000 0.731346 Na\n0.333333 0.666667 0.701053 Na\n0.682215 0.660584 0.512542 Si\n0.339416 0.021631 0.512542 Si\n0.317785 0.339416 0.012542 Si\n0.021631 0.682215 0.012542 Si\n0.978369 0.317785 0.512542 Si\n0.660584 0.978369 0.012542 Si\n0.017865 0.679770 0.392459 B\n0.338095 0.017865 0.892459 B\n0.320230 0.338095 0.392459 B\n0.679770 0.661905 0.892459 B\n0.982135 0.320230 0.892459 B\n0.661905 0.982135 0.392459 B\n0.189476 0.398612 0.892737 O\n0.090895 0.723136 0.212792 O\n0.139916 0.254235 0.489612 O\n0.367759 0.090895 0.712792 O\n0.885681 0.139916 0.989612 O\n0.632241 0.909105 0.212792 O\n0.398612 0.209136 0.392737 O\n0.114319 0.860084 0.489612 O\n0.472070 0.928609 0.466692 O\n0.209136 0.810524 0.892737 O\n0.071391 0.543461 0.466692 O\n0.254235 0.114319 0.989612 O\n0.928609 0.456539 0.966692 O\n0.909105 0.276864 0.712792 O\n0.276864 0.367759 0.212792 O\n0.860084 0.745765 0.989612 O\n0.456539 0.527930 0.466692 O\n0.543461 0.472070 0.966692 O\n0.810524 0.601388 0.392737 O\n0.723136 0.632241 0.712792 O\n0.745765 0.885681 0.489612 O\n0.527930 0.071391 0.966692 O\n0.601388 0.790864 0.892737 O\n0.790864 0.189476 0.392737 O\n",
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{
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"created_at": "2022-09-04T14:47:58.903859Z",
"structure_string": "Ca1 C2 S2 O6 F6\n1.0\n10.603161 -2.883494 0.000000\n10.603161 2.883494 0.000000\n9.819005 0.000000 4.932415\nCa C S O F\n1 2 2 6 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.780105 0.780105 0.780105 C\n0.219895 0.219895 0.219895 C\n0.720515 0.720515 0.720515 S\n0.279485 0.279485 0.279485 S\n0.147161 0.574087 0.151377 O\n0.151377 0.147161 0.574087 O\n0.574087 0.151377 0.147161 O\n0.425913 0.848623 0.852839 O\n0.848623 0.852839 0.425913 O\n0.852839 0.425913 0.848623 O\n0.043641 0.625419 0.714884 F\n0.625419 0.714884 0.043641 F\n0.714884 0.043641 0.625419 F\n0.285116 0.956359 0.374581 F\n0.374581 0.285116 0.956359 F\n0.956359 0.374581 0.285116 F\n",
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"density": 1.8620850549129255,
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"formula_full": "Ca1 C2 S2 O6 F6",
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},
{
"id": "mp-697653",
"created_at": "2022-09-04T14:39:09.996954Z",
"structure_string": "Mg4 H32 N8 F16\n1.0\n5.770364 0.000000 0.000000\n0.000000 5.885887 0.000000\n0.000000 0.316230 13.840688\nMg H N F\n4 32 8 16\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.563684 0.353572 0.629610 H\n0.063684 0.646428 0.870390 H\n0.436316 0.646428 0.370390 H\n0.936316 0.353572 0.129610 H\n0.314399 0.495480 0.643083 H\n0.814399 0.504520 0.856917 H\n0.685601 0.504520 0.356917 H\n0.185601 0.495480 0.143083 H\n0.510083 0.499015 0.734426 H\n0.010083 0.500985 0.765574 H\n0.489917 0.500985 0.265574 H\n0.989917 0.499015 0.234426 H\n0.567627 0.635371 0.625495 H\n0.067627 0.364629 0.874505 H\n0.432373 0.364629 0.374505 H\n0.932373 0.635371 0.125495 H\n0.986073 0.989211 0.734828 H\n0.486073 0.010789 0.765172 H\n0.013927 0.010789 0.265172 H\n0.513927 0.989211 0.234828 H\n0.963686 0.822252 0.635907 H\n0.463686 0.177748 0.864093 H\n0.036314 0.177748 0.364093 H\n0.536314 0.822252 0.135907 H\n0.191503 0.996691 0.646547 H\n0.691503 0.003309 0.853453 H\n0.808497 0.003309 0.353453 H\n0.308497 0.996691 0.146547 H\n0.923902 0.101335 0.620905 H\n0.423902 0.898665 0.879095 H\n0.076098 0.898665 0.379095 H\n0.576098 0.101335 0.120905 H\n0.491111 0.495805 0.659097 N\n0.991111 0.504195 0.840903 N\n0.508889 0.504195 0.340903 N\n0.008889 0.495805 0.159097 N\n0.013441 0.979060 0.660228 N\n0.513441 0.020940 0.839772 N\n0.986559 0.020940 0.339772 N\n0.486559 0.979060 0.160228 N\n0.476806 0.000000 0.643308 F\n0.976806 0.000000 0.856692 F\n0.523194 0.000000 0.356692 F\n0.023194 0.000000 0.143308 F\n0.020506 0.494302 0.645605 F\n0.520506 0.505698 0.854395 F\n0.979494 0.505698 0.354395 F\n0.479494 0.494302 0.145605 F\n0.242400 0.756303 0.486298 F\n0.742400 0.243697 0.013702 F\n0.757600 0.243697 0.513702 F\n0.257600 0.756303 0.986298 F\n0.257240 0.258552 0.489369 F\n0.757240 0.741448 0.010631 F\n0.742760 0.741448 0.510631 F\n0.242760 0.258552 0.989369 F\n",
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"volume": 470.0811197004847,
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"formula_full": "Mg4 H32 N8 F16",
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{
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"created_at": "2022-09-04T14:41:50.532890Z",
"structure_string": "Na4 Sr4 Ga4 F24\n1.0\n5.446894 0.000000 0.000000\n0.000000 9.377026 0.000000\n0.000000 0.000000 10.482643\nNa Sr Ga F\n4 4 4 24\ndirect\n0.043833 0.646373 0.082971 Na\n0.456167 0.353627 0.582971 Na\n0.956167 0.146373 0.417029 Na\n0.543833 0.853627 0.917029 Na\n0.505539 0.314482 0.177497 Sr\n0.994461 0.685518 0.677497 Sr\n0.494461 0.814482 0.322503 Sr\n0.005539 0.185518 0.822503 Sr\n0.036828 0.000890 0.126338 Ga\n0.463172 0.999110 0.626338 Ga\n0.963172 0.500890 0.373662 Ga\n0.536828 0.499110 0.873662 Ga\n0.213527 0.141032 0.586578 F\n0.286473 0.858968 0.086578 F\n0.786473 0.641032 0.913422 F\n0.713527 0.358968 0.413422 F\n0.208474 0.620759 0.296931 F\n0.291526 0.379241 0.796931 F\n0.791526 0.120759 0.203069 F\n0.708474 0.879241 0.703069 F\n0.216764 0.157655 0.048906 F\n0.283236 0.842345 0.548906 F\n0.783236 0.657655 0.451094 F\n0.716764 0.342345 0.951094 F\n0.155449 0.339818 0.318048 F\n0.344551 0.660182 0.818048 F\n0.844551 0.839818 0.181952 F\n0.655449 0.160182 0.681952 F\n0.362595 0.504283 0.032120 F\n0.137405 0.495717 0.532120 F\n0.637405 0.004283 0.467880 F\n0.862595 0.995717 0.967880 F\n0.217676 0.021675 0.282844 F\n0.282324 0.978325 0.782844 F\n0.782324 0.521675 0.217156 F\n0.717676 0.478325 0.717156 F\n",
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{
"id": "mp-1105618",
"created_at": "2022-09-04T14:45:57.962939Z",
"structure_string": "K2 Be4 B2 O6 F4\n1.0\n13.180523 -2.225039 0.000000\n13.180523 2.225039 0.000000\n12.804909 0.000000 3.835533\nK Be B O F\n2 4 2 6 4\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.598082 0.598082 0.598082 Be\n0.098082 0.098082 0.098082 Be\n0.401918 0.401918 0.401918 Be\n0.901918 0.901918 0.901918 Be\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 B\n0.250000 0.559975 0.940025 O\n0.940025 0.250000 0.559975 O\n0.559975 0.940025 0.250000 O\n0.440025 0.059975 0.750000 O\n0.750000 0.440025 0.059975 O\n0.059975 0.750000 0.440025 O\n0.637439 0.637439 0.637439 F\n0.137439 0.137439 0.137439 F\n0.362561 0.362561 0.362561 F\n0.862561 0.862561 0.862561 F\n",
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{
"id": "mp-1205752",
"created_at": "2022-09-04T14:42:14.038656Z",
"structure_string": "Rb3 Yb1 F6\n1.0\n-4.772907 -4.772907 0.000000\n-4.772907 0.000000 -4.772907\n0.000000 -4.772907 -4.772907\nRb Yb F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Yb\n0.771497 0.771497 0.228503 F\n0.228503 0.228503 0.771497 F\n0.771497 0.228503 0.771497 F\n0.228503 0.771497 0.228503 F\n0.228503 0.771497 0.771497 F\n0.771497 0.228503 0.228503 F\n",
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{
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{
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"structure_string": "K4 Cd2 C8 N8\n1.0\n0.000000 6.531536 6.531536\n6.531536 0.000000 6.531536\n6.531536 6.531536 0.000000\nK Cd C N\n4 2 8 8\ndirect\n0.125000 0.625000 0.125000 K\n0.125000 0.125000 0.625000 K\n0.125000 0.125000 0.125000 K\n0.625000 0.125000 0.125000 K\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.401727 0.401727 0.401727 C\n0.848273 0.455182 0.848273 C\n0.401727 0.401727 0.794818 C\n0.794818 0.401727 0.401727 C\n0.848273 0.848273 0.848273 C\n0.455182 0.848273 0.848273 C\n0.401727 0.794818 0.401727 C\n0.848273 0.848273 0.455182 C\n0.299559 0.900147 0.900147 N\n0.900147 0.900147 0.900147 N\n0.950441 0.349853 0.349853 N\n0.900147 0.299559 0.900147 N\n0.349853 0.349853 0.349853 N\n0.349853 0.349853 0.950441 N\n0.349853 0.950441 0.349853 N\n0.900147 0.900147 0.299559 N\n",
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"formula_full": "K4 Cd2 C8 N8",
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{
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},
{
"id": "mp-1032201",
"created_at": "2022-09-04T14:46:09.906585Z",
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"formula_full": "Mg6 Cu1 Bi1 O8",
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"updated_at": "2021-11-28T01:37:20.999000Z",
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}
]
}