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{
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{
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{
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{
"id": "mp-1188281",
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"structure_string": "Cs10 Te6\n1.0\n-7.557546 7.557546 3.582459\n7.557546 -7.557546 3.582459\n7.557546 7.557546 -3.582459\nCs Te\n10 6\ndirect\n0.275711 0.590448 0.866159 Cs\n0.724289 0.409552 0.133841 Cs\n0.409552 0.275711 0.685263 Cs\n0.590448 0.724289 0.314737 Cs\n0.087717 0.781222 0.868939 Cs\n0.912283 0.218778 0.131061 Cs\n0.218778 0.087717 0.306495 Cs\n0.781222 0.912283 0.693505 Cs\n0.250000 0.750000 0.500000 Cs\n0.750000 0.250000 0.500000 Cs\n0.697571 0.697571 0.000000 Te\n0.302429 0.302429 0.000000 Te\n0.342988 0.845385 0.188373 Te\n0.657012 0.154615 0.811627 Te\n0.154615 0.342988 0.497604 Te\n0.845385 0.657012 0.502396 Te\n",
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"formula_full": "Cs10 Te6",
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{
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"structure_string": "Pm1 Mg1 Tl2\n1.0\n0.000000 3.779438 3.779438\n3.779438 0.000000 3.779438\n3.779438 3.779438 0.000000\nPm Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
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"density": 8.890354103995604,
"density_atomic": 0.037046596884543107,
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"formula_full": "Pm1 Mg1 Tl2",
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{
"id": "mp-1180416",
"created_at": "2022-09-04T14:48:16.993108Z",
"structure_string": "Mg20 Si6 O36\n1.0\n5.151617 0.000000 0.000000\n0.000000 8.766502 0.000000\n0.000000 0.000000 14.156477\nMg Si O\n20 6 36\ndirect\n0.827337 0.500000 0.673534 Mg\n0.327337 0.000000 0.826466 Mg\n0.500000 0.157098 0.500000 Mg\n0.500000 0.842902 0.500000 Mg\n0.000000 0.342902 0.000000 Mg\n0.000000 0.657098 0.000000 Mg\n0.645946 0.321145 0.324267 Mg\n0.645946 0.678855 0.324267 Mg\n0.145946 0.178855 0.175733 Mg\n0.145946 0.821145 0.175733 Mg\n0.354054 0.321145 0.675733 Mg\n0.354054 0.678855 0.675733 Mg\n0.854054 0.178855 0.824267 Mg\n0.854054 0.821145 0.824267 Mg\n0.172663 0.500000 0.326466 Mg\n0.672663 0.000000 0.173534 Mg\n0.000000 0.321298 0.500000 Mg\n0.000000 0.678702 0.500000 Mg\n0.500000 0.178702 0.000000 Mg\n0.500000 0.821298 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.002809 0.000000 0.623762 Si\n0.502809 0.500000 0.876238 Si\n0.997191 0.000000 0.376238 Si\n0.497191 0.500000 0.123762 Si\n0.012221 0.335393 0.743421 O\n0.012221 0.664607 0.743421 O\n0.512221 0.164607 0.756579 O\n0.512221 0.835393 0.756579 O\n0.498675 0.500000 0.757358 O\n0.998675 0.000000 0.742642 O\n0.199206 0.500000 0.577028 O\n0.699206 0.000000 0.922972 O\n0.644284 0.353576 0.573189 O\n0.644284 0.646424 0.573189 O\n0.144284 0.146424 0.926811 O\n0.144284 0.853576 0.926811 O\n0.162395 0.156978 0.587752 O\n0.162395 0.843022 0.587752 O\n0.662395 0.343022 0.912248 O\n0.662395 0.656978 0.912248 O\n0.706069 0.000000 0.579028 O\n0.206069 0.500000 0.920972 O\n0.800794 0.500000 0.422972 O\n0.300794 0.000000 0.077028 O\n0.355716 0.353576 0.426811 O\n0.355716 0.646424 0.426811 O\n0.855716 0.146424 0.073189 O\n0.855716 0.853576 0.073189 O\n0.837605 0.156978 0.412248 O\n0.837605 0.843022 0.412248 O\n0.337605 0.343022 0.087752 O\n0.337605 0.656978 0.087752 O\n0.293931 0.000000 0.420972 O\n0.793931 0.500000 0.079028 O\n0.501325 0.500000 0.242642 O\n0.001325 0.000000 0.257358 O\n0.987779 0.335393 0.256579 O\n0.987779 0.664607 0.256579 O\n0.487779 0.164607 0.243421 O\n0.487779 0.835393 0.243421 O\n",
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"formula_full": "Mg20 Si6 O36",
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"spacegroup": 58
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{
"id": "mp-1216814",
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"structure_string": "U1 O1 F3\n1.0\n1.905988 -3.301268 0.000000\n1.905988 3.301268 0.000000\n0.000000 0.000000 5.113238\nU O F\n1 1 3\ndirect\n0.000000 0.000000 0.980629 U\n0.666667 0.333333 0.113973 O\n0.666667 0.333333 0.662589 F\n0.333333 0.666667 0.863932 F\n0.000000 0.000000 0.378877 F\n",
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{
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"created_at": "2022-09-04T14:48:15.618062Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.937202 0.000000 0.000000\n-0.387711 5.666972 0.000000\n-0.326269 -0.064749 7.569177\nSr H O\n2 8 6\ndirect\n0.985289 0.363730 0.294062 Sr\n0.994133 0.634970 0.775563 Sr\n0.311363 0.962831 0.149320 H\n0.777014 0.852039 0.137129 H\n0.786379 0.098897 0.656089 H\n0.200163 0.107394 0.656486 H\n0.481598 0.401621 0.554176 H\n0.491491 0.816266 0.575865 H\n0.454246 0.271819 0.021148 H\n0.603484 0.549802 0.023354 H\n0.911663 0.721312 0.101309 O\n0.001036 0.209584 0.631136 O\n0.454941 0.108487 0.177354 O\n0.492318 0.913910 0.685681 O\n0.519426 0.532212 0.473390 O\n0.466096 0.426455 0.943917 O\n",
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{
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"structure_string": "Cd12 H72 S16 N8 O84\n1.0\n0.000000 10.249130 0.000000\n-0.109561 0.000000 10.144997\n19.389085 0.000000 -4.361386\nCd H S N O\n12 72 16 8 84\ndirect\n0.134844 0.946845 0.342712 Cd\n0.634844 0.553155 0.657288 Cd\n0.865156 0.053155 0.657288 Cd\n0.365156 0.446845 0.342712 Cd\n0.847225 0.673062 0.324403 Cd\n0.347225 0.826938 0.675597 Cd\n0.152775 0.326938 0.675597 Cd\n0.652775 0.173062 0.324403 Cd\n0.782711 0.944902 0.059135 Cd\n0.282711 0.555098 0.940865 Cd\n0.217289 0.055098 0.940865 Cd\n0.717289 0.444902 0.059135 Cd\n0.491173 0.795720 0.202312 H\n0.991173 0.704280 0.797688 H\n0.508827 0.204280 0.797688 H\n0.008827 0.295720 0.202312 H\n0.411124 0.718600 0.257026 H\n0.911124 0.781400 0.742974 H\n0.588876 0.281400 0.742974 H\n0.088876 0.218600 0.257026 H\n0.575686 0.724176 0.258152 H\n0.075686 0.775824 0.741848 H\n0.424314 0.275824 0.741848 H\n0.924314 0.224176 0.258152 H\n0.484493 0.865746 0.288741 H\n0.984493 0.634254 0.711259 H\n0.515507 0.134254 0.711259 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{
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{
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"structure_string": "Li12 Mn8 P12 O48\n1.0\n4.322181 8.071678 0.000000\n-4.322181 8.071678 0.000000\n0.000000 8.055575 14.471388\nLi Mn P O\n12 8 12 48\ndirect\n0.498036 0.739560 0.841676 Li\n0.063064 0.234191 0.428332 Li\n0.639047 0.360953 0.750000 Li\n0.765809 0.936936 0.071668 Li\n0.260440 0.501964 0.658324 Li\n0.000000 0.500000 0.000000 Li\n0.739560 0.498036 0.341676 Li\n0.234191 0.063064 0.928332 Li\n0.360953 0.639047 0.250000 Li\n0.936936 0.765809 0.571668 Li\n0.501964 0.260440 0.158324 Li\n0.500000 0.000000 0.500000 Li\n0.213897 0.709888 0.030501 Mn\n0.860530 0.794310 0.335076 Mn\n0.205690 0.139470 0.164924 Mn\n0.290112 0.786103 0.469499 Mn\n0.709888 0.213897 0.530501 Mn\n0.794310 0.860530 0.835076 Mn\n0.139470 0.205690 0.664924 Mn\n0.786103 0.290112 0.969499 Mn\n0.020716 0.976201 0.867838 P\n0.050475 0.542972 0.193743 P\n0.661995 0.593085 0.527241 P\n0.406915 0.338005 0.972759 P\n0.457028 0.949525 0.306257 P\n0.023799 0.979284 0.632162 P\n0.976201 0.020716 0.367838 P\n0.542972 0.050475 0.693743 P\n0.593085 0.661995 0.027241 P\n0.338005 0.406915 0.472759 P\n0.949525 0.457028 0.806257 P\n0.979284 0.023799 0.132162 P\n0.588006 0.928743 0.790477 O\n0.713582 0.976696 0.611267 O\n0.822419 0.990186 0.372045 O\n0.137434 0.938937 0.051265 O\n0.458122 0.694906 0.978718 O\n0.010778 0.864693 0.219780 O\n0.207660 0.893869 0.884202 O\n0.249525 0.500506 0.173250 O\n0.800988 0.673009 0.466746 O\n0.607563 0.974611 0.307078 O\n0.675392 0.510302 0.626141 O\n0.928743 0.588006 0.290477 O\n0.241657 0.529315 0.982364 O\n0.976696 0.713582 0.111267 O\n0.470685 0.758343 0.517636 O\n0.990186 0.822419 0.872045 O\n0.489698 0.324608 0.873858 O\n0.938937 0.137434 0.551265 O\n0.025389 0.392437 0.192922 O\n0.694906 0.458122 0.478718 O\n0.864693 0.010778 0.719780 O\n0.326991 0.199012 0.033254 O\n0.106131 0.792340 0.615798 O\n0.499494 0.750475 0.326750 O\n0.500506 0.249525 0.673250 O\n0.893869 0.207660 0.384202 O\n0.673009 0.800988 0.966746 O\n0.135307 0.989222 0.280220 O\n0.305094 0.541878 0.521282 O\n0.974611 0.607563 0.807078 O\n0.061063 0.862566 0.448735 O\n0.510302 0.675392 0.126141 O\n0.009814 0.177581 0.127955 O\n0.529315 0.241657 0.482364 O\n0.023304 0.286418 0.888733 O\n0.758343 0.470685 0.017636 O\n0.071257 0.411994 0.709523 O\n0.324608 0.489698 0.373859 O\n0.392437 0.025389 0.692922 O\n0.199012 0.326991 0.533254 O\n0.750475 0.499494 0.826750 O\n0.792340 0.106131 0.115798 O\n0.989222 0.135307 0.780220 O\n0.541878 0.305094 0.021282 O\n0.862566 0.061063 0.948735 O\n0.177581 0.009814 0.627955 O\n0.286418 0.023304 0.388733 O\n0.411994 0.071257 0.209523 O\n",
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"formula_full": "Li12 Mn8 P12 O48",
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{
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"structure_string": "Li1 Ti1 Fe5 O8\n1.0\n-4.377439 -0.000156 -4.375534\n4.436599 -4.422025 -0.059307\n-4.381913 -4.367540 0.004320\nLi Ti Fe O\n1 1 5 8\ndirect\n0.754767 0.381339 0.371782 Li\n0.479418 0.969534 0.510894 Ti\n0.239834 0.110134 0.130692 Fe\n0.765754 0.898998 0.867544 Fe\n0.484533 0.513686 0.507499 Fe\n0.021602 0.513762 0.970413 Fe\n0.021522 0.513608 0.507596 Fe\n0.975695 0.715577 0.264228 O\n0.947427 0.225990 0.275273 O\n0.503549 0.226700 0.719407 O\n0.503247 0.225934 0.275323 O\n0.013561 0.270041 0.742838 O\n0.025748 0.770139 0.737882 O\n0.506750 0.769293 0.255813 O\n0.506593 0.770267 0.737814 O\n",
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}
]
}