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0.476215 Tb\n0.618693 0.744137 0.376238 Tb\n0.222983 0.971848 0.351157 Tb\n0.949013 0.576971 0.825903 Tb\n0.470204 0.843228 0.724701 Tb\n0.062779 0.929527 0.670852 Tb\n0.824813 0.968835 0.572681 Tb\n0.675570 0.056379 0.921642 Tb\n0.616533 0.371809 0.752842 Tb\n0.031422 0.145424 0.779004 Tb\n0.272491 0.528562 0.649068 Tb\n0.230273 0.353392 0.969559 Tb\n0.834089 0.591673 0.946594 Tb\n0.472556 0.719296 0.851200 Tb\n0.426362 0.552157 0.172933 Pb\n0.680525 0.922787 0.048134 Pb\n0.880381 0.127654 0.249489 Pb\n0.072365 0.316137 0.453837 Pb\n0.227896 0.593860 0.098276 Se\n0.942391 0.790269 0.302866 Se\n0.894632 0.394133 0.025688 Se\n0.167971 0.160402 0.167971 Se\n0.700342 0.842585 0.200264 Se\n0.136196 0.979405 0.502678 Se\n0.081991 0.074906 0.072259 Se\n0.642631 0.986872 0.499971 Se\n0.377812 0.372552 0.368957 Se\n0.480548 0.995760 0.130301 Se\n0.898620 0.034385 0.398090 Se\n0.760656 0.591527 0.098881 Se\n0.278883 0.268786 0.274334 Se\n0.080617 0.599484 0.230166 Se\n0.294506 0.805887 0.427022 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Ca\n0.234953 0.902227 0.830608 Ca\n0.734953 0.902227 0.669392 Ca\n0.234953 0.597773 0.330608 Ca\n0.265047 0.402227 0.830608 Ca\n0.765047 0.097773 0.169392 Ca\n0.129120 0.380393 0.123427 Cr\n0.629120 0.119607 0.876573 Cr\n0.870880 0.880393 0.376573 Cr\n0.370880 0.619607 0.623427 Cr\n0.870880 0.619607 0.876573 Cr\n0.370880 0.880393 0.123427 Cr\n0.129120 0.119607 0.623427 Cr\n0.629120 0.380393 0.376573 Cr\n0.567910 0.339913 0.034726 H\n0.067910 0.160087 0.965274 H\n0.432090 0.839913 0.465274 H\n0.932090 0.660087 0.534726 H\n0.432090 0.660087 0.965274 H\n0.932090 0.839913 0.034726 H\n0.567910 0.160087 0.534726 H\n0.067910 0.339913 0.465274 H\n0.479474 0.336624 0.144458 H\n0.979474 0.163376 0.855542 H\n0.520526 0.836624 0.355542 H\n0.020526 0.663376 0.644458 H\n0.520526 0.663376 0.855542 H\n0.020526 0.836624 0.144458 H\n0.479474 0.163376 0.644458 H\n0.979474 0.336624 0.355542 H\n0.494301 0.776298 0.600148 O\n0.707422 0.055677 0.987328 O\n0.792578 0.944323 0.487328 O\n0.292578 0.555677 0.512672 O\n0.792578 0.555677 0.987328 O\n0.292578 0.944323 0.012672 O\n0.207422 0.055677 0.512672 O\n0.707422 0.444323 0.487328 O\n0.005699 0.223702 0.100148 O\n0.505699 0.276298 0.899852 O\n0.994301 0.723702 0.399852 O\n0.207422 0.444323 0.012672 O\n0.994301 0.776298 0.899852 O\n0.494301 0.723702 0.100148 O\n0.005699 0.276298 0.600148 O\n0.505699 0.223702 0.399852 O\n0.284294 0.326613 0.204159 O\n0.784294 0.173387 0.795841 O\n0.715706 0.826613 0.295841 O\n0.215706 0.673387 0.704159 O\n0.715706 0.673387 0.795841 O\n0.215706 0.826613 0.204159 O\n0.284294 0.173387 0.704159 O\n0.784294 0.326613 0.295841 O\n0.026273 0.527101 0.185338 O\n0.526273 0.972899 0.814662 O\n0.973727 0.027101 0.314662 O\n0.473727 0.472899 0.685338 O\n0.973727 0.472899 0.814662 O\n0.473727 0.027101 0.185338 O\n0.026273 0.972899 0.685338 O\n0.526273 0.527101 0.314662 O\n0.091008 0.347550 0.389435 O\n0.591008 0.152450 0.610565 O\n0.908992 0.847550 0.110565 O\n0.408992 0.652450 0.889435 O\n0.908992 0.652450 0.610565 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3\ndirect\n0.624695 0.624695 0.624695 Ce\n0.375305 0.375305 0.375305 Ce\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n","nsites":6,"nelements":3,"elements":["Ce","Ni","Ru"],"chemical_system":"Ce-Ni-Ru","density":10.22567776178687,"density_atomic":0.057539706612496216,"volume":104.27581844320608,"volume_molar":10.466060942153184,"formula_full":"Ce2 Ni1 Ru3","formula_reduced":"Ce2NiRu3","formula_anonymous":"AB2C3","energy":-47.4761061,"energy_per_atom":-7.91268435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.4761061,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0338722,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.201000Z","spacegroup":166}]}