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{
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{
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{
"id": "mp-541673",
"created_at": "2022-09-04T14:40:32.763479Z",
"structure_string": "K4 Fe4 P8 O28\n1.0\n10.153591 0.000000 0.000000\n0.000000 7.489217 0.000000\n0.000000 2.389478 7.978015\nK Fe P O\n4 4 8 28\ndirect\n0.679171 0.177973 0.946238 K\n0.179171 0.822027 0.553762 K\n0.320829 0.822027 0.053762 K\n0.820829 0.177973 0.446238 K\n0.400723 0.236295 0.238955 Fe\n0.900723 0.763705 0.261045 Fe\n0.599277 0.763705 0.761045 Fe\n0.099277 0.236295 0.738955 Fe\n0.363695 0.439589 0.808404 P\n0.863695 0.560411 0.691596 P\n0.636305 0.560411 0.191596 P\n0.136305 0.439589 0.308404 P\n0.096543 0.132846 0.169252 P\n0.596543 0.867154 0.330748 P\n0.903457 0.867154 0.830748 P\n0.403457 0.132846 0.669252 P\n0.440766 0.338196 0.685886 O\n0.940766 0.661804 0.814114 O\n0.559234 0.661804 0.314114 O\n0.059234 0.338196 0.185886 O\n0.265527 0.081128 0.744727 O\n0.765527 0.918872 0.755273 O\n0.734473 0.918872 0.255273 O\n0.234473 0.081128 0.244727 O\n0.420850 0.636633 0.766538 O\n0.920850 0.363367 0.733462 O\n0.579150 0.363367 0.233462 O\n0.079150 0.636633 0.266538 O\n0.409986 0.145287 0.485483 O\n0.909986 0.854713 0.014517 O\n0.590014 0.854713 0.514517 O\n0.090014 0.145287 0.985483 O\n0.394068 0.320480 0.986134 O\n0.894068 0.679520 0.513866 O\n0.605932 0.679520 0.013866 O\n0.105932 0.320480 0.486134 O\n0.505092 0.999591 0.777316 O\n0.005092 0.000409 0.722684 O\n0.494908 0.000409 0.222684 O\n0.994908 0.999591 0.277316 O\n0.217560 0.450707 0.757266 O\n0.717560 0.549293 0.742734 O\n0.782440 0.549293 0.242734 O\n0.282440 0.450707 0.257266 O\n",
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{
"id": "mp-22427",
"created_at": "2022-09-04T14:40:25.455935Z",
"structure_string": "Ba1 Sr1 Fe4 O8\n1.0\n2.782039 -4.818633 0.000000\n2.782039 4.818633 0.000000\n0.000000 0.000000 8.205734\nBa Sr Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.229426 Fe\n0.666667 0.333333 0.770574 Fe\n0.333333 0.666667 0.770574 Fe\n0.333333 0.666667 0.229426 Fe\n0.337831 0.337831 0.707726 O\n0.662169 0.000000 0.707726 O\n0.000000 0.662169 0.707726 O\n0.662169 0.662169 0.292274 O\n0.000000 0.337831 0.292274 O\n0.337831 0.000000 0.292274 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:40:25.880419Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.027993 0.000000 0.000000\n0.457943 9.822033 0.000000\n0.230489 2.264624 9.857951\nLi Mn Co O\n9 2 5 16\ndirect\n0.999236 0.748521 0.878037 Li\n0.498614 0.497387 0.495040 Li\n0.002854 0.249696 0.128272 Li\n0.500384 0.001699 0.747528 Li\n0.500699 0.502619 0.004746 Li\n0.003062 0.249651 0.623681 Li\n0.500840 0.999202 0.251461 Li\n0.993528 0.751234 0.370039 Li\n0.999528 0.499589 0.250264 Li\n0.006925 0.997033 0.001139 Mn\n0.497507 0.750896 0.623973 Mn\n0.506388 0.250394 0.875081 Co\n0.003916 0.004757 0.496473 Co\n0.491448 0.738000 0.129951 Co\n0.995100 0.498506 0.751430 Co\n0.499946 0.260857 0.371207 Co\n0.474734 0.867679 0.954366 O\n0.961210 0.622405 0.570812 O\n0.496902 0.360214 0.205474 O\n0.015328 0.124168 0.822384 O\n0.966386 0.634129 0.068756 O\n0.506165 0.374061 0.699107 O\n0.966908 0.127374 0.323004 O\n0.510582 0.878689 0.446847 O\n0.483124 0.623229 0.801546 O\n0.027400 0.364916 0.432384 O\n0.538005 0.125824 0.052883 O\n0.034659 0.880026 0.677010 O\n0.996242 0.375349 0.929136 O\n0.495332 0.130144 0.544598 O\n0.025930 0.872561 0.177695 O\n0.501118 0.639193 0.295683 O\n",
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{
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{
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"structure_string": "Ba1 Sr2 In2 O6\n1.0\n-2.095629 2.095629 10.508818\n2.095629 -2.095629 10.508818\n2.095629 2.095629 -10.508818\nBa Sr In O\n1 2 2 6\ndirect\n0.317224 0.317224 0.000000 Ba\n0.500866 0.500866 0.000000 Sr\n0.681918 0.681918 0.000000 Sr\n0.901127 0.901127 0.000000 In\n0.098078 0.098078 0.000000 In\n0.922674 0.422674 0.500000 O\n0.422674 0.922674 0.500000 O\n0.079314 0.579314 0.500000 O\n0.579314 0.079314 0.500000 O\n0.799358 0.799358 0.000000 O\n0.197453 0.197453 0.000000 O\n",
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},
{
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"structure_string": "Mg12 Cu8 Ge12 O48\n1.0\n-5.994846 5.994846 5.994846\n5.994846 -5.994846 5.994846\n5.994846 5.994846 -5.994846\nMg Cu Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.418490 0.819253 0.789558 O\n0.871068 0.400763 0.081510 O\n0.099237 0.970305 0.680747 O\n0.529695 0.628932 0.710442 O\n0.680747 0.081510 0.710442 O\n0.628932 0.710442 0.529695 O\n0.628932 0.418490 0.099237 O\n0.710442 0.529695 0.628932 O\n0.819253 0.529695 0.400763 O\n0.970305 0.789558 0.871068 O\n0.789558 0.871068 0.970305 O\n0.710442 0.680747 0.081510 O\n0.418490 0.099237 0.628932 O\n0.400763 0.819253 0.529695 O\n0.081510 0.710442 0.680747 O\n0.099237 0.628932 0.418490 O\n0.529695 0.400763 0.819253 O\n0.081510 0.871068 0.400763 O\n0.970305 0.680747 0.099237 O\n0.180747 0.470305 0.599237 O\n0.680747 0.099237 0.970305 O\n0.789558 0.418490 0.819253 O\n0.400763 0.081510 0.871068 O\n0.871068 0.970305 0.789558 O\n0.581510 0.180747 0.210442 O\n0.128932 0.599237 0.918490 O\n0.900763 0.029695 0.319253 O\n0.470305 0.371068 0.289558 O\n0.319253 0.918490 0.289558 O\n0.371068 0.289558 0.470305 O\n0.371068 0.581510 0.900763 O\n0.289558 0.470305 0.371068 O\n0.128932 0.029695 0.210442 O\n0.599237 0.918490 0.128932 O\n0.210442 0.581510 0.180747 O\n0.180747 0.210442 0.581510 O\n0.319253 0.900763 0.029695 O\n0.029695 0.319253 0.900763 O\n0.918490 0.128932 0.599237 O\n0.470305 0.599237 0.180747 O\n0.900763 0.371068 0.581510 O\n0.918490 0.289558 0.319253 O\n0.599237 0.180747 0.470305 O\n0.581510 0.900763 0.371068 O\n0.289558 0.319253 0.918490 O\n0.210442 0.128932 0.029695 O\n0.029695 0.210442 0.128932 O\n0.819253 0.789558 0.418490 O\n",
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"elements": [
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],
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"density": 4.7009727785213675,
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"volume": 861.7753840399145,
"volume_molar": 6.4871658327392785,
"formula_full": "Mg12 Cu8 Ge12 O48",
"formula_reduced": "Mg3Cu2(GeO4)3",
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"energy": -506.6005368,
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"updated_at": "2021-11-28T01:34:56.668000Z",
"spacegroup": 230
},
{
"id": "mp-1174433",
"created_at": "2022-09-04T14:40:27.702573Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.896660 0.000000 0.000000\n1.582956 6.323311 0.000000\n2.852286 2.592791 6.643334\nLi Mn Co O\n8 2 4 14\ndirect\n0.641989 0.285710 0.073836 Li\n0.928363 0.860504 0.218345 Li\n0.206630 0.415580 0.368583 Li\n0.500000 0.000000 0.500000 Li\n0.793370 0.584420 0.631417 Li\n0.071637 0.139496 0.781655 Li\n0.358011 0.714290 0.926164 Li\n0.000000 0.000000 0.500000 Li\n0.859796 0.715125 0.924968 Mn\n0.140204 0.284875 0.075032 Mn\n0.415599 0.857264 0.226626 Co\n0.713893 0.430023 0.358660 Co\n0.286107 0.569977 0.641340 Co\n0.584401 0.142736 0.773374 Co\n0.961435 0.433964 0.872893 O\n0.251918 0.018524 0.003457 O\n0.570875 0.581935 0.139838 O\n0.840246 0.169086 0.277202 O\n0.140301 0.710073 0.424907 O\n0.386493 0.296709 0.577232 O\n0.678810 0.846820 0.734450 O\n0.321190 0.153180 0.265550 O\n0.613507 0.703291 0.422768 O\n0.859699 0.289927 0.575093 O\n0.159754 0.830914 0.722798 O\n0.429125 0.418065 0.860162 O\n0.748082 0.981476 0.996543 O\n0.038565 0.566036 0.127107 O\n",
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],
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"formula_full": "Li8 Mn2 Co4 O14",
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}
]
}