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"structure_string": "Dy4 Tc4 O14\n1.0\n6.282831 -0.000000 3.627394\n2.094277 5.923509 3.627394\n-0.000000 -0.000000 7.254788\nDy Tc O\n4 4 14\ndirect\n0.500000 0.000000 -0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.000000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 -0.000001 Tc\n0.000000 0.500000 0.500000 Tc\n0.500000 0.000000 0.500000 Tc\n0.875000 0.875000 0.874999 O\n0.162286 0.587715 0.162285 O\n0.412286 0.837715 0.412285 O\n0.162286 0.162286 0.587714 O\n0.125000 0.125000 0.125000 O\n0.587714 0.162286 0.162285 O\n0.837715 0.412286 0.412285 O\n0.587715 0.587715 0.162285 O\n0.837715 0.837715 0.412285 O\n0.162286 0.587715 0.587714 O\n0.837715 0.412286 0.837714 O\n0.587714 0.162286 0.587714 O\n0.412286 0.412286 0.837714 O\n0.412286 0.837715 0.837714 O\n",
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"structure_string": "Sr6 Mg2 Rh2 O12\n1.0\n6.686741 0.001725 -0.304789\n-0.319076 6.679123 -0.304789\n0.001643 0.001725 6.693683\nSr Mg Rh O\n6 2 2 12\ndirect\n0.883373 0.249999 0.616626 Sr\n0.383373 0.116625 0.750000 Sr\n0.750000 0.383373 0.116626 Sr\n0.116626 0.749999 0.383373 Sr\n0.616626 0.883373 0.250000 Sr\n0.249999 0.616625 0.883373 Sr\n0.749999 0.749999 0.749999 Mg\n0.250000 0.250000 0.250000 Mg\n0.499999 0.499999 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.093436 0.287519 0.963229 O\n0.787519 0.593436 0.463229 O\n0.536770 0.212479 0.406563 O\n0.406563 0.536770 0.212480 O\n0.212480 0.406563 0.536770 O\n0.712480 0.036769 0.906563 O\n0.906563 0.712479 0.036770 O\n0.036770 0.906562 0.712480 O\n0.463229 0.787519 0.593436 O\n0.593436 0.463228 0.787519 O\n0.963229 0.093436 0.287519 O\n0.287519 0.963229 0.093436 O\n",
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"structure_string": "P4 Pd4 O14\n1.0\n5.263383 0.000000 0.000000\n-2.631692 6.595677 -0.850470\n0.000000 0.004307 8.081986\nP Pd O\n4 4 14\ndirect\n0.490316 0.219000 0.268052 P\n0.509684 0.781001 0.731949 P\n0.271317 0.781001 0.231949 P\n0.728683 0.219000 0.768052 P\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.858850 0.223451 0.591456 O\n0.224598 0.620575 0.714465 O\n0.604024 0.379426 0.785536 O\n0.364601 0.223451 0.091455 O\n0.141150 0.776549 0.408545 O\n0.079691 0.773926 0.088605 O\n0.480581 0.000000 0.750000 O\n0.635399 0.776550 0.908545 O\n0.920309 0.226075 0.911396 O\n0.395977 0.620575 0.214465 O\n0.775402 0.379426 0.285535 O\n0.519418 0.000000 0.250000 O\n0.694234 0.773926 0.588605 O\n0.305766 0.226075 0.411396 O\n",
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"created_at": "2022-09-04T14:38:11.594008Z",
"updated_at": "2022-09-04T14:38:11.594034Z",
"structure_string": "Na8 B4 O10\n1.0\n5.993600 0.026774 1.744174\n1.389515 6.266186 1.855726\n0.013151 0.023448 6.681230\nNa B O\n8 4 10\ndirect\n0.921906 0.403252 0.330705 Na\n0.078095 0.596748 0.669295 Na\n0.421906 0.330705 0.403252 Na\n0.271338 0.684606 0.032678 Na\n0.228664 0.967322 0.315394 Na\n0.728663 0.315394 0.967322 Na\n0.771337 0.032678 0.684606 Na\n0.578095 0.669295 0.596748 Na\n0.832950 0.928981 0.253765 B\n0.332949 0.253766 0.928981 B\n0.167050 0.071019 0.746235 B\n0.667051 0.746235 0.071019 B\n0.716195 0.685351 0.881519 O\n0.039330 0.257763 0.651866 O\n0.283805 0.314650 0.118481 O\n0.960670 0.742237 0.348133 O\n0.539331 0.651867 0.257763 O\n0.460670 0.348134 0.742237 O\n0.750001 0.927374 0.072626 O\n0.250000 0.072627 0.927373 O\n0.783805 0.118481 0.314649 O\n0.216195 0.881519 0.685351 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"B",
"O"
],
"chemical_system": "B-Na-O",
"density": 2.5681470665156008,
"density_atomic": 0.08788349227668435,
"volume": 250.3314266430971,
"volume_molar": 6.852414035892478,
"formula_full": "Na8 B4 O10",
"formula_reduced": "Na4B2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.79352896969697,
"spacegroup": 15
}
]
}