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{
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"structure_string": "K2 Rb1 Sc1 Cl6\n1.0\n6.721305 0.000000 3.880547\n2.240435 6.336907 3.880547\n-0.000000 0.000000 7.761095\nK Rb Sc Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.774485 0.225515 0.225515 Cl\n0.225516 0.225515 0.774484 Cl\n0.225516 0.774485 0.774484 Cl\n0.225516 0.774485 0.225515 Cl\n0.774485 0.225515 0.774484 Cl\n0.774486 0.774485 0.225515 Cl\n",
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{
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"structure_string": "Ga2 H26 C8 N4\n1.0\n5.811723 -0.018060 1.734694\n1.296025 6.647275 1.038347\n-0.013930 0.069511 8.551755\nGa H C N\n2 26 8 4\ndirect\n0.443774 0.911468 0.872499 Ga\n0.556226 0.088533 0.127501 Ga\n0.130060 0.868043 0.202920 H\n0.349092 0.155600 0.547304 H\n0.181618 0.925110 0.877064 H\n0.655140 0.587169 0.531405 H\n0.314443 0.485204 0.937249 H\n0.001919 0.405069 0.364700 H\n0.134536 0.300446 0.969618 H\n0.604587 0.230567 0.408770 H\n0.030771 0.227102 0.226110 H\n0.685557 0.514797 0.062751 H\n0.865464 0.699555 0.030383 H\n0.699907 0.252318 0.657587 H\n0.986968 0.854314 0.563474 H\n0.869940 0.131958 0.797080 H\n0.650908 0.844401 0.452696 H\n0.281652 0.384849 0.767074 H\n0.013032 0.145687 0.436526 H\n0.718348 0.615152 0.232926 H\n0.969229 0.772898 0.773890 H\n0.395413 0.769434 0.591230 H\n0.265182 0.608269 0.194749 H\n0.344860 0.412831 0.468596 H\n0.300093 0.747683 0.342414 H\n0.734818 0.391732 0.805252 H\n0.818382 0.074891 0.122937 H\n0.998081 0.594932 0.635300 H\n0.286267 0.756820 0.215811 C\n0.587241 0.743344 0.564176 C\n0.296844 0.347523 0.894155 C\n0.703156 0.652478 0.105846 C\n0.913209 0.749135 0.668366 C\n0.713733 0.243181 0.784190 C\n0.086791 0.250866 0.331634 C\n0.412759 0.256657 0.435824 C\n0.499052 0.815185 0.097824 N\n0.661093 0.775724 0.703662 N\n0.338907 0.224277 0.296339 N\n0.500948 0.184816 0.902176 N\n",
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"created_at": "2022-09-04T14:38:37.811556Z",
"updated_at": "2022-09-04T14:38:37.811571Z",
"structure_string": "Rb2 Y1 Hg1 Cl6\n1.0\n6.719801 -0.000000 3.879679\n2.239934 6.335489 3.879679\n-0.000000 -0.000000 7.759358\nRb Y Hg Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Hg\n0.761888 0.238112 0.238112 Cl\n0.238112 0.238112 0.761888 Cl\n0.238112 0.761888 0.761889 Cl\n0.238112 0.761888 0.238112 Cl\n0.761888 0.238112 0.761888 Cl\n0.761887 0.761888 0.238113 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg-Rb-Y",
"density": 3.3837498516895947,
"density_atomic": 0.03027175898390151,
"volume": 330.3408964546127,
"volume_molar": 19.893593772342623,
"formula_full": "Rb2 Y1 Hg1 Cl6",
"formula_reduced": "Rb2YHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}