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"structure_string": "Si8 O16\n1.0\n6.677961 -0.560825 0.000000\n-1.079132 6.614013 -0.000000\n-0.000000 0.000000 9.183742\nSi O\n8 16\ndirect\n0.680680 0.927810 0.415382 Si\n0.927811 0.680679 0.915382 Si\n0.319320 0.072189 0.915382 Si\n0.680680 0.927810 0.084618 Si\n0.319320 0.072189 0.584618 Si\n0.072189 0.319320 0.415382 Si\n0.927811 0.680679 0.584618 Si\n0.072189 0.319320 0.084618 Si\n0.500000 -0.000000 0.000000 O\n0.606996 0.859733 0.250000 O\n0.140266 0.393004 0.250000 O\n0.883546 0.116453 0.410641 O\n0.733556 0.733556 0.000000 O\n0.116454 0.883545 0.910641 O\n0.266444 0.266443 0.500000 O\n0.733556 0.733556 0.500000 O\n0.859734 0.606995 0.750000 O\n0.393004 0.140266 0.750000 O\n0.500000 -0.000000 0.500000 O\n0.883546 0.116453 0.089359 O\n0.116454 0.883545 0.589359 O\n0.266444 0.266443 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.087570Z",
"structure_string": "Ba4 Mn4 F20\n1.0\n4.825383 -0.000000 0.000000\n0.000000 5.831870 0.000000\n-0.000000 -0.000000 14.216618\nBa Mn F\n4 4 20\ndirect\n0.736134 0.627599 0.660938 Ba\n0.236135 0.872401 0.339062 Ba\n0.263865 0.127599 0.839062 Ba\n0.763865 0.372401 0.160938 Ba\n0.347672 0.113539 0.584556 Mn\n0.847671 0.386461 0.415444 Mn\n0.652328 0.613539 0.915444 Mn\n0.152328 0.886461 0.084556 Mn\n0.288950 0.644787 0.160166 F\n0.657612 0.116517 0.663905 F\n0.157612 0.383483 0.336095 F\n0.052369 0.128168 0.498920 F\n0.842387 0.883483 0.163905 F\n0.552369 0.371832 0.501080 F\n0.788950 0.855213 0.839834 F\n0.342387 0.616518 0.836095 F\n0.711049 0.144787 0.339834 F\n0.202728 0.868908 0.676832 F\n0.797272 0.368908 0.823168 F\n0.297272 0.131092 0.176832 F\n0.447630 0.871832 0.998920 F\n0.702727 0.631092 0.323168 F\n0.494838 0.384585 0.988455 F\n-0.005162 0.115415 0.011545 F\n0.505162 0.884585 0.511545 F\n0.005162 0.615415 0.488455 F\n0.211050 0.355213 0.660166 F\n0.947630 0.628168 0.001080 F\n",
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"volume": 399.95867153036534,
"volume_molar": 10.948215536993022,
"formula_full": "Dy2 Al14 Au6",
"formula_reduced": "DyAl7Au3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 1.546578982727273,
"spacegroup": 167
}
]
}