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"updated_at": "2022-09-04T14:38:51.460132Z",
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{
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"structure_string": "Lu4 P4 S16\n1.0\n0.000000 8.128957 0.322207\n6.447472 0.000000 0.000000\n0.000000 -6.359142 -10.784139\nLu P S\n4 4 16\ndirect\n0.561474 0.326006 0.166631 Lu\n0.438526 0.826006 0.333369 Lu\n0.438527 0.673993 0.833369 Lu\n0.561474 0.173993 0.666631 Lu\n0.702379 0.225664 0.967320 P\n0.297622 0.725664 0.532680 P\n0.297622 0.774335 0.032680 P\n0.702379 0.274336 0.467320 P\n0.244287 0.553923 0.130335 S\n0.755713 0.053923 0.369665 S\n0.735561 0.953418 0.892282 S\n0.264439 0.453418 0.607718 S\n0.264439 0.046582 0.107717 S\n0.735561 0.546582 0.392282 S\n0.876121 0.245388 0.157884 S\n0.411798 0.266997 0.910615 S\n0.123880 0.754612 0.842115 S\n0.876121 0.254612 0.657884 S\n0.244287 0.946077 0.630335 S\n0.588203 0.766997 0.589385 S\n0.588203 0.733002 0.089385 S\n0.411798 0.233003 0.410615 S\n0.123879 0.745388 0.342115 S\n0.755713 0.446077 0.869665 S\n",
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{
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"structure_string": "Tm4 Se4 O12 F4\n1.0\n0.000000 6.549535 0.020355\n6.832595 0.000000 0.000000\n0.000000 -1.051965 -7.000321\nTm Se O F\n4 4 12 4\ndirect\n0.864015 0.858424 0.175138 Tm\n0.135987 0.141577 0.824862 Tm\n0.864015 0.641577 0.675138 Tm\n0.135986 0.358423 0.324862 Tm\n0.356562 0.882153 0.291985 Se\n0.356562 0.617848 0.791985 Se\n0.643440 0.117848 0.708016 Se\n0.643440 0.382153 0.208016 Se\n0.176435 0.806930 0.782336 O\n0.481409 0.311942 0.363621 O\n0.481409 0.188059 0.863621 O\n0.826107 0.966463 0.852978 O\n0.518593 0.688059 0.636379 O\n0.176435 0.693071 0.282336 O\n0.823567 0.306930 0.717665 O\n0.518593 0.811942 0.136379 O\n0.823566 0.193070 0.217665 O\n0.826106 0.533538 0.352978 O\n0.173895 0.466462 0.647022 O\n0.173895 0.033538 0.147022 O\n0.166229 0.113457 0.524874 F\n0.833773 0.613457 0.975126 F\n0.166229 0.386543 0.024874 F\n0.833772 0.886544 0.475126 F\n",
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{
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},
{
"id": "jvasp-30223",
"created_at": "2022-09-04T14:38:02.921248Z",
"updated_at": "2022-09-04T14:38:02.921285Z",
"structure_string": "Ti2 Sn2 P4 O16\n1.0\n10.422145 0.000000 0.867509\n0.000000 6.307400 0.000000\n0.417702 0.000000 4.944243\nTi Sn P O\n2 2 4 16\ndirect\n0.205307 0.750000 0.351116 Ti\n0.794693 0.250000 0.648884 Ti\n0.318524 0.250000 0.803151 Sn\n0.681476 0.750000 0.196849 Sn\n0.101532 0.250000 0.386877 P\n0.381379 0.750000 0.710405 P\n0.618622 0.250000 0.289594 P\n0.898469 0.750000 0.613122 P\n0.842627 0.952863 0.773801 O\n0.842627 0.547137 0.773801 O\n0.689884 0.431638 0.425637 O\n0.689884 0.068362 0.425637 O\n0.667368 0.250000 0.977209 O\n0.525667 0.750000 0.645314 O\n0.474333 0.250000 0.354686 O\n0.157373 0.452863 0.226199 O\n0.310116 0.568362 0.574363 O\n0.310116 0.931638 0.574363 O\n0.869775 0.750000 0.321825 O\n0.157373 0.047137 0.226199 O\n0.130225 0.250000 0.678174 O\n0.048936 0.750000 0.600432 O\n0.332633 0.750000 0.022791 O\n0.951064 0.250000 0.399568 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn-Ti",
"density": 3.6687671051790645,
"density_atomic": 0.07436502536060936,
"volume": 322.7323581699823,
"volume_molar": 8.09808203627654,
"formula_full": "Ti2 Sn2 P4 O16",
"formula_reduced": "TiSn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.8008665861111117,
"spacegroup": 11
}
]
}