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{
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"structure_string": "Sr1 Hf1 Mg6 O8\n1.0\n8.967055 -0.000000 0.000000\n0.000000 4.514691 0.000000\n0.000000 0.000000 4.514691\nSr Hf Mg O\n1 1 6 8\ndirect\n0.000000 -0.000000 -0.000000 Sr\n0.000000 0.500000 0.500000 Hf\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.268076 -0.000000 0.500000 Mg\n0.731924 0.000000 0.500000 Mg\n0.268076 0.500000 -0.000000 Mg\n0.731924 0.500000 0.000000 Mg\n0.275304 0.000000 -0.000000 O\n0.724696 -0.000000 0.000000 O\n0.256182 0.500000 0.500000 O\n0.743818 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Sr4 Ca4 Mn8 O24\n1.0\n7.702674 0.000000 0.000000\n0.000000 7.702674 0.000000\n0.000000 0.000000 7.701251\nSr Ca Mn O\n4 4 8 24\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.749965 0.250035 0.750885 Mn\n0.250035 0.250035 0.750885 Mn\n0.749965 0.250035 0.249115 Mn\n0.250035 0.250035 0.249115 Mn\n0.749965 0.749965 0.750885 Mn\n0.250035 0.749965 0.750885 Mn\n0.749965 0.749965 0.249115 Mn\n0.250035 0.749965 0.249115 Mn\n0.749988 0.000000 0.754371 O\n0.250012 0.000000 0.754371 O\n0.749988 0.000000 0.245629 O\n0.250012 0.000000 0.245629 O\n0.750020 0.500000 0.750383 O\n0.249980 0.500000 0.750383 O\n0.750020 0.500000 0.249617 O\n0.249980 0.500000 0.249617 O\n0.747983 0.252017 0.500000 O\n0.252017 0.252017 0.500000 O\n0.751983 0.248017 0.000000 O\n0.248017 0.248017 0.000000 O\n0.747983 0.747983 0.500000 O\n0.252017 0.747983 0.500000 O\n0.751983 0.751983 0.000000 O\n0.248017 0.751983 0.000000 O\n0.500000 0.249980 0.750383 O\n0.000000 0.250012 0.754371 O\n0.500000 0.249980 0.249617 O\n0.000000 0.250012 0.245629 O\n0.500000 0.750020 0.750383 O\n0.000000 0.749988 0.754371 O\n0.500000 0.750020 0.249617 O\n0.000000 0.749988 0.245629 O\n",
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"density": 4.849002391065166,
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"volume": 456.92436129174985,
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"formula_full": "Sr4 Ca4 Mn8 O24",
"formula_reduced": "SrCaMn2O6",
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{
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"created_at": "2022-09-04T14:39:27.640473Z",
"structure_string": "Fe24 Pb2 O38\n1.0\n3.011091 -5.210146 0.000000\n3.011091 5.210146 0.000000\n0.000000 0.000000 23.300126\nFe Pb O\n24 2 38\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000442 0.999558 0.750000 Fe\n0.999558 0.000442 0.250000 Fe\n0.666660 0.333340 0.972105 Fe\n0.333340 0.666660 0.027895 Fe\n0.333340 0.666660 0.472105 Fe\n0.666660 0.333340 0.527895 Fe\n0.666703 0.333297 0.809123 Fe\n0.333297 0.666703 0.190877 Fe\n0.333297 0.666703 0.309123 Fe\n0.666703 0.333297 0.690877 Fe\n0.335687 0.167606 0.109664 Fe\n0.832229 0.167771 0.109703 Fe\n0.832394 0.664313 0.109664 Fe\n0.664313 0.832394 0.890336 Fe\n0.167771 0.832229 0.890297 Fe\n0.167606 0.335687 0.890336 Fe\n0.664313 0.832394 0.609664 Fe\n0.167771 0.832229 0.609703 Fe\n0.167606 0.335687 0.609664 Fe\n0.335687 0.167606 0.390336 Fe\n0.832229 0.167771 0.390297 Fe\n0.832394 0.664313 0.390336 Fe\n0.663178 0.336822 0.250000 Pb\n0.336822 0.663178 0.750000 Pb\n0.999937 0.000063 0.847101 O\n0.000063 0.999937 0.152899 O\n0.000063 0.999937 0.347101 O\n0.999937 0.000063 0.652899 O\n0.666815 0.333185 0.055084 O\n0.333185 0.666815 0.944916 O\n0.333185 0.666815 0.555084 O\n0.666815 0.333185 0.444916 O\n0.367471 0.185875 0.750000 O\n0.816505 0.183495 0.750000 O\n0.814125 0.632529 0.750000 O\n0.632529 0.814125 0.250000 O\n0.183495 0.816505 0.250000 O\n0.185875 0.367471 0.250000 O\n0.310426 0.155393 0.946581 O\n0.844861 0.155139 0.946542 O\n0.844607 0.689574 0.946581 O\n0.689574 0.844607 0.053419 O\n0.155139 0.844861 0.053458 O\n0.155393 0.310426 0.053419 O\n0.689574 0.844607 0.446581 O\n0.155139 0.844861 0.446542 O\n0.155393 0.310426 0.446581 O\n0.310426 0.155393 0.553419 O\n0.844861 0.155139 0.553458 O\n0.844607 0.689574 0.553419 O\n0.493868 0.506132 0.848868 O\n0.493934 0.988062 0.848866 O\n0.011938 0.506066 0.848866 O\n0.506132 0.493868 0.151132 O\n0.506066 0.011938 0.151134 O\n0.988062 0.493934 0.151134 O\n0.506132 0.493868 0.348868 O\n0.506066 0.011938 0.348866 O\n0.988062 0.493934 0.348866 O\n0.493868 0.506132 0.651132 O\n0.493934 0.988062 0.651134 O\n0.011938 0.506066 0.651134 O\n",
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"volume": 731.0751792171073,
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"formula_full": "Fe24 Pb2 O38",
"formula_reduced": "Fe12PbO19",
"formula_anonymous": "AB12C19",
"energy": -501.1940819,
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"updated_at": "2021-11-28T01:34:39.001000Z",
"spacegroup": 63
},
{
"id": "mp-20707",
"created_at": "2022-09-04T14:45:09.142410Z",
"structure_string": "Gd2 Cu4 O8\n1.0\n-2.871926 2.871926 4.847320\n2.871926 -2.871926 4.847320\n2.871926 2.871926 -4.847320\nGd Cu O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Gd\n0.750000 0.250000 0.500000 Gd\n0.375000 0.625000 0.250000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.750000 Cu\n0.875000 0.625000 0.250000 Cu\n0.736730 0.301423 0.141152 O\n0.160271 0.595578 0.858848 O\n0.013270 0.948577 0.358848 O\n0.589729 0.654422 0.641152 O\n0.051423 0.410271 0.064693 O\n0.345578 0.986730 0.935307 O\n0.404422 0.263270 0.564693 O\n0.698577 0.839729 0.435307 O\n",
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"volume": 159.92198549989604,
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"formula_full": "Gd2 Cu4 O8",
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{
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"structure_string": "Zr8 Sc2 O19\n1.0\n2.991701 0.023893 1.902842\n-1.708715 3.634206 35.902003\n-0.731636 0.439622 34.405925\nZr Sc O\n8 2 19\ndirect\n0.007244 0.004507 0.994366 Zr\n0.000371 0.100780 0.999025 Zr\n0.998204 0.198008 0.002490 Zr\n0.996094 0.296963 0.003796 Zr\n0.994146 0.395513 0.005609 Zr\n0.992753 0.493835 0.007706 Zr\n0.982665 0.686724 0.016595 Zr\n0.988651 0.592196 0.009755 Zr\n0.012054 0.812390 0.984512 Sc\n0.979755 0.881429 0.023213 Sc\n0.245617 0.097219 0.253477 O\n0.233639 0.187590 0.265513 O\n0.261188 0.309679 0.237901 O\n0.208398 0.367232 0.290960 O\n0.267338 0.515998 0.230002 O\n0.699540 0.961497 0.798129 O\n0.772534 0.121556 0.723055 O\n0.233243 0.687158 0.266053 O\n0.797117 0.237115 0.703606 O\n0.279134 0.823564 0.220544 O\n0.742789 0.293221 0.758474 O\n0.232999 0.887161 0.266049 O\n0.778531 0.422369 0.722039 O\n0.257328 0.006496 0.241880 O\n0.750562 0.499687 0.750391 O\n0.759033 0.606560 0.741800 O\n0.764489 0.710845 0.736444 O\n0.734774 0.787279 0.765901 O\n0.774810 0.919427 0.725717 O\n",
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{
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"structure_string": "Li6 Fe4 P6 O24\n1.0\n4.418792 7.196083 0.000000\n-4.418792 7.196083 0.000000\n0.000000 4.859603 7.184690\nLi Fe P O\n6 4 6 24\ndirect\n0.235407 0.160281 0.358215 Li\n0.160281 0.235407 0.858215 Li\n0.000000 0.500000 0.500000 Li\n0.839719 0.764593 0.141785 Li\n0.500000 0.000000 0.000000 Li\n0.764593 0.839720 0.641785 Li\n0.637326 0.148040 0.147059 Fe\n0.148040 0.637326 0.647059 Fe\n0.851960 0.362674 0.352941 Fe\n0.362674 0.851960 0.852941 Fe\n0.255342 0.440023 0.031974 P\n0.955198 0.044802 0.750000 P\n0.440023 0.255342 0.531974 P\n0.559977 0.744658 0.468026 P\n0.044802 0.955198 0.250000 P\n0.744658 0.559977 0.968026 P\n0.122193 0.013997 0.800767 O\n0.013997 0.122193 0.300767 O\n0.099412 0.438833 0.226394 O\n0.407898 0.245941 0.069940 O\n0.186580 0.446312 0.892634 O\n0.769724 0.052615 0.919332 O\n0.323076 0.610976 0.956871 O\n0.438833 0.099412 0.726394 O\n0.245941 0.407898 0.569940 O\n0.446312 0.186580 0.392634 O\n0.389024 0.676924 0.543129 O\n0.052615 0.769724 0.419332 O\n0.947385 0.230276 0.580668 O\n0.610976 0.323076 0.456871 O\n0.553688 0.813420 0.607366 O\n0.754059 0.592102 0.430060 O\n0.561167 0.900588 0.273606 O\n0.676924 0.389024 0.043129 O\n0.230276 0.947385 0.080668 O\n0.813420 0.553688 0.107366 O\n0.592102 0.754059 0.930060 O\n0.900588 0.561167 0.773606 O\n0.986003 0.877807 0.699233 O\n0.877807 0.986003 0.199233 O\n",
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{
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{
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