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"created_at": "2022-09-04T14:35:42.257554Z",
"updated_at": "2022-09-04T14:35:42.257579Z",
"structure_string": "K4 Mo4 P8 O32\n1.0\n5.084428 0.040887 0.000000\n-0.126360 11.402292 0.000000\n0.000000 0.000000 11.761724\nK Mo P O\n4 4 8 32\ndirect\n0.717665 0.061209 0.633383 K\n0.782336 0.438792 0.133383 K\n0.282335 0.938791 0.366617 K\n0.217665 0.561208 0.866616 K\n0.741459 0.832907 0.878401 Mo\n0.758541 0.667093 0.378401 Mo\n0.258541 0.167093 0.121599 Mo\n0.241459 0.332907 0.621599 Mo\n0.254437 0.860638 0.061036 P\n0.754437 0.360638 0.438964 P\n0.745564 0.139362 0.938963 P\n0.245563 0.639362 0.561036 P\n0.264227 0.641778 0.192807 P\n0.764227 0.141779 0.307193 P\n0.735773 0.358222 0.807192 P\n0.235773 0.858221 0.692807 P\n0.954236 0.654431 0.528625 O\n0.454236 0.154431 0.971374 O\n0.045764 0.345569 0.471374 O\n0.778257 0.425523 0.914080 O\n0.721744 0.074477 0.414080 O\n0.221744 0.574477 0.085919 O\n0.688845 0.688778 0.856039 O\n0.811156 0.811222 0.356039 O\n0.311156 0.311222 0.143961 O\n0.188844 0.188778 0.643960 O\n0.424179 0.891079 0.790598 O\n0.075821 0.608920 0.290598 O\n0.545765 0.845569 0.028626 O\n0.278257 0.925523 0.585919 O\n0.287778 0.717710 0.674412 O\n0.578117 0.308776 0.532145 O\n0.712223 0.282290 0.325588 O\n0.787778 0.217710 0.825588 O\n0.447198 0.364903 0.765840 O\n0.052803 0.135097 0.265840 O\n0.552803 0.635097 0.234160 O\n0.947198 0.864903 0.734160 O\n0.575821 0.108921 0.209402 O\n0.921883 0.191224 0.032146 O\n0.421883 0.691224 0.467854 O\n0.078117 0.808776 0.967854 O\n0.315568 0.517183 0.598793 O\n0.184432 0.982817 0.098793 O\n0.684432 0.482817 0.401206 O\n0.815568 0.017183 0.901206 O\n0.212222 0.782290 0.174412 O\n0.924179 0.391080 0.709402 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Mo",
"P",
"O"
],
"chemical_system": "K-Mo-O-P",
"density": 3.165360261854304,
"density_atomic": 0.0703877838464239,
"volume": 681.9365147896849,
"volume_molar": 8.55566183634855,
"formula_full": "K4 Mo4 P8 O32",
"formula_reduced": "KMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.8909177416666663,
"spacegroup": 14
},
{
"id": "jvasp-42435",
"created_at": "2022-09-04T14:35:42.261528Z",
"updated_at": "2022-09-04T14:35:42.261541Z",
"structure_string": "Li2 Ti1 Mn1 O4\n1.0\n5.211448 -0.115085 0.000000\n2.177309 4.736218 0.000000\n-3.694379 -2.310567 2.860994\nLi Ti Mn O\n2 1 1 4\ndirect\n0.250000 0.750000 0.499999 Li\n0.500000 0.500001 -0.000000 Li\n0.750000 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.514944 0.014944 0.499999 O\n0.250211 0.250211 -0.000000 O\n0.985055 0.485056 0.499999 O\n0.749789 0.749790 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.206071060744319,
"density_atomic": 0.11214921769635999,
"volume": 71.33353370025027,
"volume_molar": 5.369757260638885,
"formula_full": "Li2 Ti1 Mn1 O4",
"formula_reduced": "Li2TiMnO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4721474468390805,
"spacegroup": 119
}
]
}