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{
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"structure_string": "Mg8 Ti4 O16\n1.0\n6.016677 0.000000 0.000000\n0.000000 6.016677 -0.000000\n-0.000000 0.000000 8.450875\nMg Ti O\n8 4 16\ndirect\n0.000000 0.248621 0.000000 Mg\n0.000000 0.751379 0.500000 Mg\n0.248621 0.000000 0.750000 Mg\n0.252005 0.252005 0.375000 Mg\n0.252005 0.747995 0.125000 Mg\n0.747995 0.252005 0.625000 Mg\n0.747995 0.747995 0.875000 Mg\n0.751379 0.000000 0.250000 Mg\n0.763348 0.500000 0.250000 Ti\n0.500000 0.763348 0.500000 Ti\n0.500000 0.236652 0.000000 Ti\n0.236652 0.500000 0.750000 Ti\n0.739632 0.516686 0.483751 O\n0.739632 0.483315 0.016249 O\n0.737886 0.026124 0.002444 O\n0.737886 0.973876 0.497556 O\n0.516686 0.739632 0.266249 O\n0.516686 0.260368 0.233751 O\n0.483315 0.739632 0.733751 O\n0.026124 0.737886 0.747556 O\n0.262114 0.973876 0.502444 O\n0.262114 0.026124 0.997557 O\n0.260368 0.516686 0.516249 O\n0.260368 0.483315 0.983751 O\n0.973876 0.262114 0.247556 O\n0.026124 0.262114 0.752444 O\n0.483315 0.260368 0.766250 O\n0.973876 0.737886 0.252444 O\n",
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"created_at": "2022-09-04T14:37:00.619006Z",
"updated_at": "2022-09-04T14:37:00.619031Z",
"structure_string": "Ho2 H2 O4\n1.0\n-3.617263 0.001910 -0.000108\n0.002066 4.301294 -0.040967\n-0.000398 -2.006428 -5.598418\nHo H O\n2 2 4\ndirect\n0.750365 0.666717 0.811660 Ho\n0.250376 0.333413 0.190767 Ho\n0.752453 0.013796 0.421799 H\n0.252505 0.986359 0.580655 H\n0.750257 0.233518 0.949426 O\n0.250278 0.766603 0.052998 O\n0.750062 0.247500 0.439396 O\n0.250037 0.752648 0.563033 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ho",
"H",
"O"
],
"chemical_system": "H-Ho-O",
"density": 7.521104866850009,
"density_atomic": 0.09153041314151915,
"volume": 87.40264274379328,
"volume_molar": 6.579387717488947,
"formula_full": "Ho2 H2 O4",
"formula_reduced": "HoHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4854881416666663,
"spacegroup": 11
}
]
}