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"structure_string": "La4 Mo2 O12\n1.0\n6.289488 0.000000 0.000000\n-0.000000 4.716588 2.917108\n0.000000 0.060953 9.085675\nLa Mo O\n4 2 12\ndirect\n0.587916 0.783512 0.251418 La\n0.087916 0.216488 0.248582 La\n0.912084 0.783512 0.751418 La\n0.412084 0.216488 0.748582 La\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.148169 0.159703 0.547764 O\n0.648169 0.840297 0.952235 O\n0.733194 0.293577 0.571074 O\n0.944837 0.601193 0.266701 O\n0.555163 0.601193 0.766701 O\n0.351831 0.159703 0.047764 O\n0.851831 0.840297 0.452235 O\n0.233193 0.706423 0.928926 O\n0.266807 0.706423 0.428926 O\n0.055163 0.398807 0.733299 O\n0.766807 0.293577 0.071074 O\n0.444837 0.398807 0.233299 O\n",
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"structure_string": "Mn4 As4 O16\n1.0\n4.818132 0.033914 0.000000\n-0.476718 6.644341 0.000000\n-0.000000 -0.000000 9.052811\nMn As O\n4 4 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.965204 0.780160 0.319129 As\n0.465205 0.280160 0.180871 As\n0.034795 0.219839 0.680871 As\n0.534794 0.719839 0.819129 As\n0.307105 0.783208 0.378318 O\n0.814655 0.993218 0.377393 O\n0.192894 0.716791 0.878318 O\n0.809742 0.555080 0.377588 O\n0.185344 0.006781 0.622607 O\n0.690256 0.944918 0.877588 O\n0.905907 0.770779 0.127742 O\n0.692894 0.216791 0.621682 O\n0.594092 0.729220 0.627742 O\n0.807105 0.283208 0.121682 O\n0.405907 0.270779 0.372258 O\n0.190257 0.444919 0.622412 O\n0.685344 0.506780 0.877393 O\n0.309743 0.055081 0.122412 O\n0.094092 0.229220 0.872258 O\n0.314655 0.493219 0.122607 O\n",
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"created_at": "2022-09-04T14:37:43.818768Z",
"updated_at": "2022-09-04T14:37:43.818782Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 5.257952 0.091964\n6.102117 0.000000 0.000000\n0.000000 -4.462727 -9.510393\nLi Mn P O\n4 4 4 16\ndirect\n0.094198 0.359091 -0.071753 Li\n0.905802 0.859091 0.571753 Li\n0.094197 0.140910 0.428247 Li\n0.905802 0.640910 0.071753 Li\n0.552588 0.389825 0.331054 Mn\n0.447412 0.889825 0.168947 Mn\n0.552587 0.110176 0.831054 Mn\n0.447411 0.610176 0.668946 Mn\n0.105309 0.651302 0.366310 P\n0.894690 0.151302 0.133690 P\n0.105309 0.848698 0.866310 P\n0.894690 0.348698 0.633690 P\n0.215176 0.437528 0.452658 O\n0.190776 0.839632 0.476106 O\n0.809224 0.339632 0.023894 O\n0.784824 0.937528 0.047343 O\n0.778827 0.646097 0.272224 O\n0.752560 0.165158 0.236924 O\n0.247439 0.834843 0.763076 O\n0.247440 0.665158 0.263076 O\n0.215176 0.062472 0.952657 O\n0.190776 0.660369 -0.023894 O\n0.809223 0.160369 0.523894 O\n0.784823 0.562472 0.547343 O\n0.752559 0.334842 0.736924 O\n0.221172 0.146097 0.227777 O\n0.221172 0.353903 0.727776 O\n0.778827 0.853903 0.772224 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.442534038902779,
"density_atomic": 0.09252125939571026,
"volume": 302.6331481313387,
"volume_molar": 6.508926488174474,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5483623916256155,
"spacegroup": 14
}
]
}