ASE database

Displaying rows 101-125 out of 594
↓ ID ✕ Formula ✕ Volume ✕ atom_E ✕ Number of atoms ✕ Age ✕ distance ✕ Maximum stress ✕ Dipole_val ✕ Maximum force ✕ Energy ✕ slab_E ✕ Charge ✕ plane_index ✕ PBC ✕ ads_site ✕ Mass ✕
101 Au72Na 3649.858 -0.225 73 13M 2.409 0.014 -6.067 0.009 -220.823 -218.527 0.000 110 TTT 1b 14204.583
102 Au72Mg 3649.858 -0.004 73 13M 1.938 0.012 -3.492 0.008 -220.273 -218.527 0.000 110 TTT 1b 14205.898
103 AlAu72 3649.858 -0.295 73 13M 1.701 0.012 -1.522 0.007 -222.069 -218.527 0.000 110 TTT 1b 14208.575
104 Au72Si 3649.858 -0.830 73 13M 1.560 0.012 -0.561 0.006 -223.274 -218.527 0.000 110 TTT 1b 14209.678
105 Au72P 3649.858 -1.888 73 13M 1.549 0.013 0.405 0.009 -223.458 -218.527 0.000 110 TTT 1b 14212.567
106 Au72S 3649.858 -0.945 73 13M 1.636 0.013 1.306 0.007 -223.028 -218.527 0.000 110 TTT 1b 14213.653
107 Au72Cl 3649.858 -0.243 73 13M 1.936 0.013 1.286 0.009 -221.679 -218.527 0.000 110 TTT 1b 14217.043
108 Au72Ar 3649.858 -0.025 73 13M 3.439 0.013 -0.163 0.007 -218.551 -218.527 0.000 110 TTT 1b 14221.541
109 Au72H 3649.858 -1.117 73 13M 1.599 0.013 0.312 0.006 -221.776 -218.527 0.000 110 TTT 0t 14182.601
110 Au72He 3649.858 0.002 73 13M 3.610 0.013 -0.024 0.008 -218.530 -218.527 0.000 110 TTT 0t 14185.596
111 Au72Li 3649.858 -0.299 73 13M 2.237 0.014 -5.675 0.008 -221.011 -218.527 0.000 110 TTT 0t 14188.533
112 Au72Be 3649.858 -0.039 73 13M 2.078 0.013 -1.886 0.006 -220.240 -218.527 0.000 110 TTT 0t 14190.605
113 Au72B 3649.858 -0.349 73 13M 1.927 0.013 0.023 0.005 -221.920 -218.527 0.000 110 TTT 0t 14192.403
114 Au72C 3649.858 -1.248 73 13M 1.835 0.013 0.775 0.006 -222.605 -218.527 0.000 110 TTT 0t 14193.604
115 Au72N 3649.858 -3.124 73 13M 1.836 0.013 1.821 0.008 -222.623 -218.527 0.000 110 TTT 0t 14195.600
116 Au72O 3649.858 -1.533 73 13M 1.889 0.013 2.735 0.008 -222.603 -218.527 0.000 110 TTT 0t 14197.592
117 Au72F 3649.858 -0.424 73 13M 2.038 0.012 2.894 0.007 -222.249 -218.527 0.000 110 TTT 0t 14200.591
118 Au72Ne 3649.858 -0.013 73 13M 3.629 0.013 -0.020 0.009 -218.546 -218.527 0.000 110 TTT 0t 14201.773
119 Au72Na 3649.858 -0.225 73 13M 2.544 0.014 -6.877 0.009 -220.649 -218.527 0.000 110 TTT 0t 14204.583
120 Au72Mg 3649.858 -0.004 73 13M 2.384 0.013 -3.881 0.009 -219.792 -218.527 0.000 110 TTT 0t 14205.898
121 AlAu72 3649.858 -0.295 73 13M 2.395 0.014 -2.381 0.010 -221.476 -218.527 0.000 110 TTT 0t 14208.575
122 Au72Si 3649.858 -0.830 73 13M 2.136 0.014 -1.395 0.006 -222.175 -218.527 0.000 110 TTT 0t 14209.678
123 Au72P 3649.858 -1.888 73 13M 2.139 0.013 0.382 0.034 -222.119 -218.527 0.000 110 TTT 0t 14212.567
124 Au72S 3649.858 -0.945 73 13M 2.212 0.013 2.053 0.010 -221.946 -218.527 0.000 110 TTT 0t 14213.653
125 Au72Cl 3649.858 -0.243 73 13M 2.331 0.012 2.575 0.006 -221.439 -218.527 0.000 110 TTT 0t 14217.043