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{
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"structure_string": "Pr6 Cd4 Pd13\n1.0\n8.073179 -0.000000 -2.854300\n-4.036589 6.991577 -2.854300\n-0.000000 -0.000000 8.562899\nPr Cd Pd\n6 4 13\ndirect\n0.301851 0.000000 0.301851 Pr\n0.698149 0.000000 0.698149 Pr\n0.301851 0.301851 0.000000 Pr\n0.000000 0.698150 0.698149 Pr\n0.698149 0.698150 0.000000 Pr\n0.000000 0.301851 0.301851 Pr\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.659956 0.340044 0.000000 Pd\n0.319911 0.659956 0.659956 Pd\n0.340044 0.000000 0.659956 Pd\n0.680089 0.340044 0.340044 Pd\n0.340044 0.340044 0.680089 Pd\n0.659956 0.000000 0.340044 Pd\n0.659956 0.659956 0.319912 Pd\n0.659956 0.319912 0.659956 Pd\n0.340044 0.659956 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.340044 0.659956 Pd\n0.340044 0.680089 0.340044 Pd\n0.000000 0.659956 0.340044 Pd\n",
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"created_at": "2022-09-04T14:35:54.300910Z",
"updated_at": "2022-09-04T14:35:54.300930Z",
"structure_string": "Pr6 Si4 Cl6 O14\n1.0\n5.328621 -0.085728 0.000000\n-2.687042 7.502149 0.000000\n0.000000 0.000000 12.144017\nPr Si Cl O\n6 4 6 14\ndirect\n0.325499 0.530769 0.895847 Pr\n0.610651 0.081594 0.877086 Pr\n0.389349 0.918406 0.377086 Pr\n0.144089 0.202719 0.620049 Pr\n0.855911 0.797281 0.120049 Pr\n0.674501 0.469231 0.395847 Pr\n0.930870 0.818641 0.822855 Si\n0.276708 0.563662 0.210507 Si\n0.069130 0.181358 0.322855 Si\n0.723293 0.436338 0.710508 Si\n0.127167 0.168139 0.993436 Cl\n0.787413 0.442771 0.996652 Cl\n0.481569 0.992311 0.619032 Cl\n0.872833 0.831861 0.493436 Cl\n0.212587 0.557228 0.496652 Cl\n0.518431 0.007689 0.119031 Cl\n0.219020 0.807720 0.859990 O\n0.724404 0.804704 0.927114 O\n0.750990 0.639990 0.750447 O\n0.022032 0.619124 0.248593 O\n0.249010 0.360009 0.250446 O\n0.457758 0.306445 0.780132 O\n0.542243 0.693555 0.280132 O\n0.780980 0.192279 0.359990 O\n0.977968 0.380875 0.748594 O\n0.275596 0.195296 0.427114 O\n0.370443 0.599417 0.083846 O\n0.941796 0.001983 0.762437 O\n0.058204 -0.001983 0.262437 O\n0.629557 0.400582 0.583846 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pr-Si",
"density": 4.797486166080255,
"density_atomic": 0.06215386616958193,
"volume": 482.6731118889268,
"volume_molar": 9.689084736207823,
"formula_full": "Pr6 Si4 Cl6 O14",
"formula_reduced": "Pr3Si2Cl3O7",
"formula_anonymous": "A2B3C3D7",
"energy_above_hull": 2.152468896833333,
"spacegroup": 4
}
]
}