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{
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{
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"structure_string": "Li1 Mg14 Si1 O16\n1.0\n8.511524 0.000000 0.000000\n0.000000 8.511524 0.000000\n0.000000 -0.000000 4.252677\nLi Mg Si O\n1 14 1 16\ndirect\n-0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.242214 0.500000 Mg\n-0.000000 0.757786 0.500000 Mg\n0.500000 0.245849 0.500000 Mg\n0.500000 0.754151 0.500000 Mg\n0.242214 0.000000 0.500000 Mg\n0.245849 0.500000 0.500000 Mg\n0.757786 0.000000 0.500000 Mg\n0.754151 0.500000 0.500000 Mg\n0.242706 0.242706 0.000000 Mg\n0.242706 0.757294 0.000000 Mg\n0.757294 0.242706 -0.000000 Mg\n0.757294 0.757294 -0.000000 Mg\n0.500000 0.500000 0.000000 Si\n0.260139 0.000000 0.000000 O\n0.264196 0.500000 0.000000 O\n0.739861 0.000000 0.000000 O\n0.735804 0.500000 0.000000 O\n0.251588 0.251588 0.500000 O\n0.251588 0.748412 0.500000 O\n0.748412 0.251588 0.500000 O\n0.748412 0.748412 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.260139 0.000000 O\n-0.000000 0.739861 -0.000000 O\n0.500000 0.264196 0.000000 O\n0.500000 0.735804 -0.000000 O\n",
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"elements": [
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],
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"density_atomic": 0.1038658845007131,
"volume": 308.0896114621765,
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"formula_full": "Li1 Mg14 Si1 O16",
"formula_reduced": "LiMg14SiO16",
"formula_anonymous": "ABC14D16",
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"updated_at": "2021-11-28T01:35:54.381000Z",
"spacegroup": 123
},
{
"id": "mp-695403",
"created_at": "2022-09-04T14:42:50.354158Z",
"structure_string": "Ba6 La6 Mg3 Ti9 O36\n1.0\n-5.660860 0.000000 0.000000\n2.821077 4.913081 0.000000\n-0.024646 -0.046005 -27.588743\nBa La Mg Ti O\n6 6 3 9 36\ndirect\n0.833438 0.166181 0.288976 Ba\n0.166562 0.833819 0.711024 Ba\n0.500058 0.500550 0.626948 Ba\n0.833807 0.166747 0.542383 Ba\n0.166193 0.833253 0.457617 Ba\n0.499942 0.499450 0.373052 Ba\n0.169950 0.835648 0.205729 La\n0.495196 0.501821 0.123928 La\n0.832929 0.166972 0.041152 La\n0.504804 0.498179 0.876072 La\n0.167071 0.833028 0.958848 La\n0.830050 0.164352 0.794271 La\n0.835466 0.165452 0.163626 Mg\n0.500000 0.500000 0.000000 Mg\n0.164534 0.834548 0.836374 Mg\n0.164032 0.833156 0.081933 Ti\n0.492648 0.498831 0.243739 Ti\n0.507352 0.501169 0.756261 Ti\n0.835968 0.166844 0.918067 Ti\n0.168734 0.831298 0.329839 Ti\n0.831266 0.168702 0.670161 Ti\n0.168205 0.834458 0.584883 Ti\n0.831795 0.165542 0.415117 Ti\n0.500000 0.500000 0.500000 Ti\n0.329205 0.156823 0.286212 O\n0.165846 0.387967 0.208515 O\n0.341902 0.676009 0.289879 O\n0.802334 0.717680 0.052708 O\n0.330171 0.158548 0.041853 O\n0.091153 0.036274 0.132644 O\n0.596496 0.299131 0.199379 O\n0.853072 0.669259 0.283646 O\n0.471466 0.047118 0.887161 O\n0.000490 0.492041 0.877603 O\n0.756538 0.371924 0.967849 O\n0.243462 0.628076 0.032151 O\n0.669987 0.814738 0.203486 O\n0.999510 0.507959 0.122397 O\n0.528534 0.952882 0.112839 O\n0.146928 0.330741 0.716354 O\n0.670795 0.843177 0.713788 O\n0.403504 0.700869 0.800621 O\n0.908847 0.963726 0.867356 O\n0.669829 0.841452 0.958147 O\n0.197666 0.282320 0.947292 O\n0.835172 0.664353 0.542099 O\n0.333097 0.166687 0.542409 O\n0.998576 0.999149 0.627362 O\n0.658098 0.323991 0.710121 O\n0.330013 0.185262 0.796514 O\n0.834154 0.612033 0.791485 O\n0.502982 0.001467 0.373060 O\n0.662418 0.331690 0.457396 O\n0.337582 0.668310 0.542604 O\n0.002436 0.500077 0.627382 O\n0.497018 0.998533 0.626940 O\n0.001424 0.000851 0.372638 O\n0.666903 0.833313 0.457591 O\n0.164828 0.335647 0.457901 O\n0.997564 0.499923 0.372618 O\n",
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"elements": [
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],
"chemical_system": "Ba-La-Mg-O-Ti",
"density": 5.923387121903232,
"density_atomic": 0.07819572276381753,
"volume": 767.3053957340363,
"volume_molar": 7.701368498363117,
"formula_full": "Ba6 La6 Mg3 Ti9 O36",
"formula_reduced": "Ba2La2MgTi3O12",
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"energy": -509.1016929000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.048000Z",
"spacegroup": 2
},
{
"id": "mp-1175775",
"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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"elements": [
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"O"
],
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"density": 4.246880804662698,
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"volume": 282.69504915782204,
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"formula_full": "Li9 Mn2 Co5 O16",
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}
]
}