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{
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{
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{
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{
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"structure_string": "Pr6 Os1 I10\n1.0\n8.004931 0.038970 -1.044764\n-3.097682 9.028215 -3.105878\n0.002900 0.057599 10.174888\nPr Os I\n6 1 10\ndirect\n0.529641 0.225015 0.418999 Pr\n0.470359 0.774985 0.581001 Pr\n0.138759 0.367127 0.326725 Pr\n0.861241 0.632873 0.673275 Pr\n0.616520 0.542041 0.252174 Pr\n0.383480 0.457959 0.747826 Pr\n0.500000 0.500000 0.500000 Os\n0.146456 0.043522 0.225607 I\n0.853544 0.956478 0.774393 I\n0.235926 0.409792 0.038674 I\n0.764074 0.590208 0.961326 I\n0.707431 0.237508 0.151449 I\n0.292569 0.762492 0.848551 I\n0.049286 0.683870 0.410577 I\n0.950714 0.316130 0.589423 I\n0.413534 0.131227 0.678309 I\n0.586466 0.868773 0.321691 I\n",
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{
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"structure_string": "Na4 La4 O8\n1.0\n7.046878 3.478429 0.000000\n-7.046878 3.478429 0.000000\n0.000000 3.455326 5.438362\nNa La O\n4 4 8\ndirect\n0.194839 0.805161 0.750000 Na\n0.569347 0.430653 0.250000 Na\n0.430653 0.569347 0.750000 Na\n0.805161 0.194839 0.250000 Na\n0.057255 0.942745 0.250000 La\n0.317994 0.682006 0.250000 La\n0.682006 0.317994 0.750000 La\n0.942745 0.057255 0.750000 La\n0.069938 0.443384 0.703126 O\n0.165449 0.289063 0.296986 O\n0.710937 0.834551 0.203014 O\n0.443384 0.069938 0.203126 O\n0.556616 0.930062 0.796874 O\n0.289063 0.165449 0.796986 O\n0.834551 0.710937 0.703014 O\n0.930062 0.556616 0.296874 O\n",
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"structure_string": "Mg30 Ti1 Zn1 O32\n1.0\n8.524253 0.000000 0.000000\n0.000000 8.524253 0.000000\n0.000000 0.000000 8.548856\nMg Ti Zn O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.250077 0.248672 Mg\n0.000000 0.250077 0.751328 Mg\n0.000000 0.749923 0.248672 Mg\n0.000000 0.749923 0.751328 Mg\n0.500000 0.249928 0.249674 Mg\n0.500000 0.249928 0.750326 Mg\n0.500000 0.750072 0.249674 Mg\n0.500000 0.750072 0.750326 Mg\n0.250077 0.000000 0.248672 Mg\n0.250077 0.000000 0.751328 Mg\n0.249928 0.500000 0.249674 Mg\n0.249928 0.500000 0.750326 Mg\n0.749923 0.000000 0.248672 Mg\n0.749923 0.000000 0.751328 Mg\n0.750072 0.500000 0.249674 Mg\n0.750072 0.500000 0.750326 Mg\n0.249741 0.249741 0.000000 Mg\n0.251575 0.251575 0.500000 Mg\n0.249741 0.750259 0.000000 Mg\n0.251575 0.748425 0.500000 Mg\n0.750259 0.249741 0.000000 Mg\n0.748425 0.251575 0.500000 Mg\n0.750259 0.750259 0.000000 Mg\n0.748425 0.748425 0.500000 Mg\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n0.254819 0.000000 0.000000 O\n0.253327 0.000000 0.500000 O\n0.250473 0.500000 0.000000 O\n0.250382 0.500000 0.500000 O\n0.745181 0.000000 0.000000 O\n0.746673 0.000000 0.500000 O\n0.749527 0.500000 0.000000 O\n0.749618 0.500000 0.500000 O\n0.249775 0.249775 0.250436 O\n0.249775 0.249775 0.749564 O\n0.249775 0.750225 0.250436 O\n0.249775 0.750225 0.749564 O\n0.750225 0.249775 0.250436 O\n0.750225 0.249775 0.749564 O\n0.750225 0.750225 0.250436 O\n0.750225 0.750225 0.749564 O\n0.000000 0.000000 0.243786 O\n0.000000 0.000000 0.756214 O\n0.000000 0.500000 0.250053 O\n0.000000 0.500000 0.749947 O\n0.500000 0.000000 0.250053 O\n0.500000 0.000000 0.749947 O\n0.500000 0.500000 0.250194 O\n0.500000 0.500000 0.749806 O\n0.000000 0.254819 0.000000 O\n0.000000 0.253327 0.500000 O\n0.000000 0.745181 0.000000 O\n0.000000 0.746673 0.500000 O\n0.500000 0.250473 0.000000 O\n0.500000 0.250382 0.500000 O\n0.500000 0.749527 0.000000 O\n0.500000 0.749618 0.500000 O\n",
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"elements": [
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],
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"formula_full": "Mg30 Ti1 Zn1 O32",
"formula_reduced": "Mg30TiZnO32",
"formula_anonymous": "ABC30D32",
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"updated_at": "2021-11-28T01:36:36.925000Z",
"spacegroup": 123
},
{
"id": "mp-772753",
"created_at": "2022-09-04T14:44:25.762017Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n6.499256 0.000000 0.000000\n0.000000 5.118296 0.000000\n0.000000 0.257750 8.378832\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.513367 0.040273 0.995826 Li\n0.191429 0.438610 0.179528 Li\n0.423017 0.443437 0.513019 Li\n0.923017 0.556563 0.486981 Li\n0.691429 0.561390 0.820472 Li\n0.013367 0.959727 0.004174 Li\n0.745633 0.035566 0.288115 Zn\n0.245633 0.964434 0.711885 Zn\n0.248917 0.961295 0.330844 P\n0.748917 0.038705 0.669156 P\n0.737900 0.521422 0.136424 C\n0.237900 0.478578 0.863576 C\n0.713329 0.357754 0.023242 O\n0.762465 0.769530 0.099649 O\n0.065136 0.086544 0.235186 O\n0.439917 0.023100 0.226282 O\n0.742145 0.442449 0.285684 O\n0.214096 0.664723 0.364234 O\n0.277252 0.104871 0.491252 O\n0.777252 0.895129 0.508748 O\n0.714096 0.335277 0.635766 O\n0.242145 0.557551 0.714316 O\n0.939917 0.976900 0.773718 O\n0.565136 0.913456 0.764814 O\n0.262465 0.230470 0.900351 O\n0.213329 0.642246 0.976758 O\n",
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"elements": [
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"chemical_system": "C-Li-O-P-Zn",
"density": 2.8741269681845147,
"density_atomic": 0.09328263884715272,
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"formula_full": "Li6 Zn2 P2 C2 O14",
"formula_reduced": "Li3ZnPCO7",
"formula_anonymous": "ABCD3E7",
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"updated_at": "2021-11-28T01:36:35.552000Z",
"spacegroup": 4
},
{
"id": "mp-1174041",
"created_at": "2022-09-04T14:44:25.632751Z",
"structure_string": "Li6 Mn4 O10\n1.0\n1.437668 2.726038 0.000000\n-1.437668 2.726038 0.000000\n0.000000 0.016077 24.537249\nLi Mn O\n6 4 10\ndirect\n0.694055 0.694055 0.592962 Li\n0.305945 0.305945 0.407038 Li\n0.899912 0.899912 0.200404 Li\n0.500000 0.500000 0.000000 Li\n0.100088 0.100088 0.799596 Li\n0.000000 0.000000 0.500000 Li\n0.397056 0.397056 0.699456 Mn\n0.602944 0.602944 0.300544 Mn\n0.200425 0.200425 0.100008 Mn\n0.799575 0.799575 0.899992 Mn\n0.039945 0.039945 0.656304 O\n0.639886 0.639886 0.449240 O\n0.235777 0.235777 0.253715 O\n0.832922 0.832922 0.053709 O\n0.432838 0.432838 0.853958 O\n0.360114 0.360114 0.550760 O\n0.960055 0.960055 0.343696 O\n0.567162 0.567162 0.146042 O\n0.167078 0.167078 0.946291 O\n0.764223 0.764223 0.746285 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-O",
"density": 3.638221969040729,
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"volume": 192.3297102826949,
"volume_molar": 5.791182938262041,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
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"energy": -137.34331609,
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"updated_at": "2021-11-28T01:36:37.602000Z",
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}
]
}