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{
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"structure_string": "Tl10 Se4 I2\n1.0\n7.707812 0.000000 -4.170856\n-2.256936 7.369981 -4.170856\n0.024136 0.032634 9.252116\nTl Se I\n10 4 2\ndirect\n0.994923 0.783224 0.278148 Tl\n0.783224 0.283225 0.278148 Tl\n0.494923 0.994923 0.278148 Tl\n0.216775 0.716775 0.721851 Tl\n0.283224 0.494923 0.278149 Tl\n0.005077 0.216775 0.721851 Tl\n0.716775 0.505076 0.721851 Tl\n0.505077 0.005076 0.721851 Tl\n0.500000 0.500000 -0.000001 Tl\n0.000000 0.000000 0.000000 Tl\n0.839204 0.339204 -0.000001 Se\n0.660795 0.839204 -0.000001 Se\n0.339204 0.160796 -0.000000 Se\n0.160795 0.660795 -0.000001 Se\n0.750000 0.750000 0.499999 I\n0.250000 0.250000 0.500000 I\n",
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"created_at": "2022-09-04T14:38:15.017596Z",
"updated_at": "2022-09-04T14:38:15.017621Z",
"structure_string": "Sr4 B8 S16\n1.0\n6.109535 0.000989 0.000000\n-2.277410 6.067503 0.000000\n0.000000 0.000000 14.212848\nSr B S\n4 8 16\ndirect\n0.196494 0.311986 0.102179 Sr\n0.803506 0.688014 0.897821 Sr\n0.696495 0.311986 0.397821 Sr\n0.303506 0.688014 0.602179 Sr\n0.181175 0.232372 0.772310 B\n0.318825 0.767628 0.272310 B\n0.068671 0.964912 0.415617 B\n0.681176 0.232372 0.727690 B\n0.431329 0.035087 0.915617 B\n0.931330 0.035087 0.584383 B\n0.568671 0.964912 0.084383 B\n0.818826 0.767628 0.227690 B\n0.351424 0.764154 0.992271 S\n0.502794 0.579779 0.261920 S\n0.648577 0.235846 0.007729 S\n0.851424 0.764154 0.507729 S\n0.940506 0.028767 0.303671 S\n0.559495 0.971233 0.803672 S\n0.059495 0.971232 0.696329 S\n0.328919 0.867082 0.400825 S\n0.171081 0.132918 0.900825 S\n0.828920 0.867082 0.099175 S\n0.002794 0.579779 0.238080 S\n0.997207 0.420221 0.761920 S\n0.497206 0.420220 0.738080 S\n0.148577 0.235846 0.492271 S\n0.440505 0.028767 0.196329 S\n0.671081 0.132918 0.599175 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"B",
"S"
],
"chemical_system": "B-S-Sr",
"density": 2.9939924759167544,
"density_atomic": 0.05314132466845639,
"volume": 526.8969144952503,
"volume_molar": 11.332312089643148,
"formula_full": "Sr4 B8 S16",
"formula_reduced": "Sr(BS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.449757353809524,
"spacegroup": 14
}
]
}