ASE database

ID Formula atom_E Username Age Dipole_val Magnetic moment Energy ads_site
551 Cu54Na -0.225 hecc 15M -4.502 -0.000 -195.024 3h
552 Cu54Mg -0.004 hecc 15M -2.595 -0.000 -194.556 3h
553 AlCu54 -0.295 hecc 15M -1.006 0.000 -196.324 3h
554 Cu54Si -0.830 hecc 15M 0.043 0.000 -197.777 3h
555 Cu54P -1.888 hecc 15M 0.624 0.000 -198.547 3h
556 Cu54S -0.945 hecc 15M 0.764 0.000 -198.308 3h
557 Cu54Cl -0.243 hecc 15M 0.388 -0.000 -196.481 3h
558 Cu54Ar -0.025 hecc 15M -0.053 0.000 -192.878 3h
559 Cu54H -1.120 hecc 15M 0.014 -0.000 -196.523 1b
560 Cu54He 0.002 hecc 15M -0.017 0.000 -192.846 1b
561 Cu54Li -0.299 hecc 15M -3.370 0.000 -195.466 1b
562 BeCu54 -0.039 hecc 15M -0.736 -0.000 -195.474 1b
563 Cu54B -0.349 hecc 15M 0.322 0.000 -197.691 1b
564 Cu54C -1.250 hecc 15M 0.460 0.000 -199.256 1b
565 Cu54N -3.120 hecc 15M 0.716 -0.000 -199.896 1b
566 Cu54O -1.530 hecc 15M 0.781 -0.000 -199.469 1b
567 Cu54F -0.424 hecc 15M 0.687 0.000 -197.505 1b
568 Cu54Ne -0.013 hecc 15M -0.008 0.000 -192.866 1b
569 Cu54Na -0.225 hecc 15M -4.513 -0.000 -195.018 1b
570 Cu54Mg -0.004 hecc 15M -2.577 0.000 -194.540 1b
571 AlCu54 -0.295 hecc 15M -0.999 0.000 -196.341 1b
572 Cu54Si -0.830 hecc 15M 0.034 -0.000 -197.812 1b
573 Cu54P -1.890 hecc 15M 0.602 -0.000 -198.588 1b
574 Cu54S -0.945 hecc 15M 0.738 -0.000 -198.347 1b
575 Cu54Cl -0.243 hecc 15M 0.581 0.000 -196.406 1b