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{
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{
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{
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{
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},
{
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"created_at": "2022-09-04T14:45:34.999236Z",
"structure_string": "Ba2 Ti4 Tl2 Zn3 O12\n1.0\n-1.939114 1.939114 23.043394\n1.939114 -1.939114 23.043394\n1.939114 1.939114 -23.043394\nBa Ti Tl Zn O\n2 4 2 3 12\ndirect\n0.173213 0.173213 0.000000 Ba\n0.826787 0.826787 0.000000 Ba\n0.529444 0.529444 0.000000 Ti\n0.388668 0.388668 0.000000 Ti\n0.611332 0.611332 0.000000 Ti\n0.470556 0.470556 0.000000 Ti\n0.724842 0.724842 0.000000 Tl\n0.275158 0.275158 0.000000 Tl\n0.078750 0.078750 0.000000 Zn\n0.921250 0.921250 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.900734 0.400734 0.500000 O\n0.031917 0.531917 0.500000 O\n0.225710 0.225710 0.000000 O\n0.468083 0.968083 0.500000 O\n0.774290 0.774290 0.000000 O\n0.599266 0.099266 0.500000 O\n0.099266 0.599266 0.500000 O\n0.350035 0.350035 0.000000 O\n0.400734 0.900734 0.500000 O\n0.531917 0.031917 0.500000 O\n0.968083 0.468083 0.500000 O\n0.649965 0.649965 0.000000 O\n",
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],
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"density_atomic": 0.06636127405875512,
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"formula_full": "Ba2 Ti4 Tl2 Zn3 O12",
"formula_reduced": "Ba2Ti4Tl2Zn3O12",
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},
{
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},
{
"id": "mp-780089",
"created_at": "2022-09-04T14:45:34.754197Z",
"structure_string": "Li12 Mn4 Si8 O28\n1.0\n4.994542 0.000000 0.000000\n0.000000 8.975784 0.000000\n0.000000 0.000000 12.484822\nLi Mn Si O\n12 4 8 28\ndirect\n0.020030 0.336059 0.093436 Li\n0.020030 0.336059 0.406564 Li\n0.011370 0.029200 0.250000 Li\n0.488630 0.529200 0.250000 Li\n0.479970 0.836059 0.093436 Li\n0.479970 0.836059 0.406564 Li\n0.520030 0.163941 0.593436 Li\n0.520030 0.163941 0.906564 Li\n0.511370 0.470800 0.750000 Li\n0.988630 0.970800 0.750000 Li\n0.979970 0.663941 0.906564 Li\n0.979970 0.663941 0.593436 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.995779 0.311917 0.631581 Si\n0.995779 0.311917 0.868419 Si\n0.504221 0.811917 0.631581 Si\n0.504221 0.811917 0.868419 Si\n0.495779 0.188083 0.131581 Si\n0.495779 0.188083 0.368419 Si\n0.004221 0.688083 0.131581 Si\n0.004221 0.688083 0.368419 Si\n0.079068 0.867396 0.124395 O\n0.079068 0.867396 0.375605 O\n0.123730 0.628330 0.250000 O\n0.174119 0.606013 0.036321 O\n0.174119 0.606013 0.463679 O\n0.187647 0.847098 0.625298 O\n0.187647 0.847098 0.874702 O\n0.312353 0.347098 0.625298 O\n0.312353 0.347098 0.874702 O\n0.325881 0.106013 0.036321 O\n0.325881 0.106013 0.463679 O\n0.376270 0.128330 0.250000 O\n0.420932 0.367396 0.124395 O\n0.420932 0.367396 0.375605 O\n0.579068 0.632604 0.624395 O\n0.579068 0.632604 0.875605 O\n0.623730 0.871670 0.750000 O\n0.674119 0.893987 0.536321 O\n0.674119 0.893987 0.963679 O\n0.687647 0.652902 0.125298 O\n0.687647 0.652902 0.374702 O\n0.812353 0.152902 0.374702 O\n0.812353 0.152902 0.125298 O\n0.825881 0.393987 0.536321 O\n0.825881 0.393987 0.963679 O\n0.876270 0.371670 0.750000 O\n0.920932 0.132604 0.624395 O\n0.920932 0.132604 0.875605 O\n",
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"elements": [
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],
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"density": 2.8948099088562835,
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"formula_full": "Li12 Mn4 Si8 O28",
"formula_reduced": "Li3MnSi2O7",
"formula_anonymous": "AB2C3D7",
"energy": -381.73133408,
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"updated_at": "2021-11-28T01:37:09.050000Z",
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}
]
}