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{
"id": "mp-1227361",
"created_at": "2022-09-04T14:42:49.878924Z",
"structure_string": "Ca2 Bi4 Br4 O6\n1.0\n4.058724 0.000000 0.000000\n0.000000 4.058724 0.000000\n0.000000 0.000000 21.207876\nCa Bi Br O\n2 4 4 6\ndirect\n0.000000 0.500000 0.264038 Ca\n0.500000 0.000000 0.735962 Ca\n0.000000 0.500000 0.056379 Bi\n0.500000 0.000000 0.943621 Bi\n0.000000 0.500000 0.638879 Bi\n0.500000 0.000000 0.361121 Bi\n0.000000 0.500000 0.439684 Br\n0.500000 0.000000 0.560316 Br\n0.000000 0.500000 0.863188 Br\n0.500000 0.000000 0.136812 Br\n0.500000 0.500000 0.305740 O\n0.000000 0.000000 0.694260 O\n0.500000 0.500000 0.694260 O\n0.000000 0.000000 0.305740 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Bi12 Ir4 O8\n1.0\n0.000000 -3.765322 0.000000\n-10.123301 0.000000 0.000000\n0.000000 0.000000 -13.014597\nBi Ir O\n12 4 8\ndirect\n0.750000 0.197031 0.395672 Bi\n0.750000 0.697031 0.104328 Bi\n0.250000 0.802969 0.604328 Bi\n0.250000 0.302969 0.895672 Bi\n0.750000 0.109132 0.695645 Bi\n0.750000 0.609132 0.804355 Bi\n0.250000 0.890868 0.304355 Bi\n0.250000 0.390868 0.195645 Bi\n0.750000 0.125704 0.090578 Bi\n0.750000 0.625704 0.409422 Bi\n0.250000 0.874296 0.909422 Bi\n0.250000 0.374296 0.590578 Bi\n0.750000 0.406871 0.034137 Ir\n0.750000 0.906871 0.465863 Ir\n0.250000 0.593129 0.965863 Ir\n0.250000 0.093129 0.534137 Ir\n0.750000 0.893173 0.022854 O\n0.750000 0.393173 0.477146 O\n0.250000 0.106827 0.977146 O\n0.250000 0.606827 0.522854 O\n0.750000 0.330842 0.708624 O\n0.750000 0.830842 0.791376 O\n0.250000 0.669158 0.291376 O\n0.250000 0.169158 0.208624 O\n",
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{
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{
"id": "mp-1225180",
"created_at": "2022-09-04T14:42:50.005843Z",
"structure_string": "Fe1 Cu2 Sn3 S8\n1.0\n6.347841 -3.652903 0.000000\n6.347841 3.652903 0.000000\n4.245756 0.000000 5.967608\nFe Cu Sn S\n1 2 3 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.378878 0.378878 0.378878 Cu\n0.621122 0.621122 0.621122 Cu\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.773405 0.226243 0.773405 S\n0.748737 0.748737 0.748737 S\n0.773757 0.226595 0.226595 S\n0.226595 0.226595 0.773757 S\n0.226595 0.773757 0.226595 S\n0.251263 0.251263 0.251263 S\n0.226243 0.773405 0.773405 S\n0.773405 0.773405 0.226243 S\n",
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{
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"structure_string": "U2 Mn2 S4 O30\n1.0\n-6.263643 0.000000 0.003049\n-0.125130 0.000000 -8.825018\n0.000000 -11.489119 0.000000\nU Mn S O\n2 2 4 30\ndirect\n0.004576 0.389600 0.229066 U\n0.995424 0.610400 0.729066 U\n0.503088 0.175287 0.884173 Mn\n0.496912 0.824713 0.384173 Mn\n0.024893 0.736596 0.037464 S\n0.975107 0.263404 0.537464 S\n0.002701 0.252854 0.916732 S\n0.997299 0.747146 0.416732 S\n0.275766 0.336623 0.259631 O\n0.724234 0.663377 0.759631 O\n0.732781 0.443163 0.199743 O\n0.267219 0.556837 0.699743 O\n0.103391 0.608538 0.109823 O\n0.896609 0.391462 0.609823 O\n0.100776 0.704091 0.915952 O\n0.899224 0.295909 0.415952 O\n0.104925 0.884610 0.078347 O\n0.895075 0.115390 0.578347 O\n0.790360 0.757971 0.044002 O\n0.209640 0.242029 0.544002 O\n0.951749 0.399244 0.861070 O\n0.048251 0.600756 0.361070 O\n0.048388 0.276788 0.041862 O\n0.951612 0.723212 0.541862 O\n0.825326 0.143305 0.901028 O\n0.174674 0.856695 0.401028 O\n0.189005 0.175631 0.858214 O\n0.810995 0.824369 0.358214 O\n0.891959 0.140053 0.235632 O\n0.108041 0.859947 0.735632 O\n0.500044 0.065342 0.126601 O\n0.499956 0.934658 0.626601 O\n0.488340 0.010488 0.961009 O\n0.511660 0.989512 0.461009 O\n0.532932 0.177641 0.744467 O\n0.467068 0.822359 0.244467 O\n0.501894 0.327753 0.960783 O\n0.498106 0.672247 0.460783 O\n",
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{
"id": "mp-554270",
"created_at": "2022-09-04T14:42:49.810745Z",
"structure_string": "Tm4 Mn4 O12\n1.0\n5.270793 0.000000 0.000000\n0.000000 5.812419 0.000000\n0.000000 0.000000 7.453871\nTm Mn O\n4 4 12\ndirect\n0.479915 0.416309 0.750000 Tm\n0.520085 0.583691 0.250000 Tm\n0.020085 0.916309 0.750000 Tm\n0.979915 0.083691 0.250000 Tm\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.697636 0.326971 0.440004 O\n0.873729 0.546763 0.750000 O\n0.802364 0.826971 0.059996 O\n0.126271 0.453237 0.250000 O\n0.197636 0.173029 0.559996 O\n0.626271 0.046763 0.750000 O\n0.697636 0.326971 0.059996 O\n0.302364 0.673029 0.559996 O\n0.373729 0.953237 0.250000 O\n0.802364 0.826971 0.440004 O\n0.197636 0.173029 0.940004 O\n0.302364 0.673029 0.940004 O\n",
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"formula_full": "Tm4 Mn4 O12",
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{
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"structure_string": "Nd2 In2 Co4\n1.0\n4.074597 0.000000 0.000000\n0.000000 5.097596 0.000000\n0.000000 0.000000 7.232439\nNd In Co\n2 2 4\ndirect\n0.500000 0.750000 0.716940 Nd\n0.500000 0.250000 0.283060 Nd\n0.000000 0.750000 0.341224 In\n0.000000 0.250000 0.658776 In\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.750000 0.091317 Co\n0.500000 0.250000 0.908683 Co\n",
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{
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{
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{
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"structure_string": "Ce1 Pr4 O10\n1.0\n-4.467737 4.467737 2.853004\n4.467737 -4.467737 2.853004\n4.467737 4.467737 -2.853004\nCe Pr O\n1 4 10\ndirect\n0.000000 0.000000 0.000000 Ce\n0.399678 0.200805 0.600483 Pr\n0.799195 0.399678 0.198873 Pr\n0.200805 0.600322 0.801127 Pr\n0.600322 0.799195 0.399517 Pr\n0.750000 0.250000 0.500000 O\n0.145478 0.434849 0.096731 O\n0.565151 0.661882 0.710629 O\n0.951253 0.854522 0.289371 O\n0.338118 0.048747 0.903269 O\n0.854522 0.565151 0.903269 O\n0.250000 0.750000 0.500000 O\n0.661882 0.951253 0.096731 O\n0.048747 0.145478 0.710629 O\n0.434849 0.338118 0.289371 O\n",
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{
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{
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"created_at": "2022-09-04T14:42:48.300035Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.934196 0.000000 0.000000\n-1.653864 -6.232544 0.000000\n-1.887690 0.309682 -7.643477\nLi Mn Co O\n9 2 5 16\ndirect\n0.126365 0.619050 0.870770 Li\n0.746430 0.247876 0.747697 Li\n0.008237 0.492349 0.503672 Li\n0.621284 0.126225 0.379686 Li\n0.877490 0.376628 0.123647 Li\n0.497063 0.011679 0.992003 Li\n0.374369 0.879583 0.623215 Li\n0.249122 0.748178 0.256015 Li\n0.248133 0.251205 0.747753 Li\n0.005385 0.001161 0.997990 Mn\n0.618587 0.620380 0.873415 Mn\n0.872346 0.880357 0.625143 Co\n0.490350 0.498316 0.504087 Co\n0.123326 0.126537 0.382252 Co\n0.754907 0.747838 0.250915 Co\n0.380684 0.371358 0.120283 Co\n0.929729 0.699118 0.051114 O\n0.568926 0.331602 0.933154 O\n0.783235 0.578866 0.691913 O\n0.424635 0.198775 0.545486 O\n0.674031 0.450577 0.300830 O\n0.306177 0.069093 0.171831 O\n0.150767 0.941180 0.818828 O\n0.052737 0.820626 0.428799 O\n0.329320 0.572082 0.698521 O\n0.930842 0.167164 0.561205 O\n0.200346 0.424497 0.323804 O\n0.841846 0.044396 0.187007 O\n0.076753 0.302234 0.957380 O\n0.695825 0.931911 0.831091 O\n0.577073 0.797565 0.441930 O\n0.463686 0.671590 0.058563 O\n",
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"density": 4.246880804662698,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"updated_at": "2021-11-28T01:35:53.696000Z",
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}
]
}