calculation (id: 23) for 11 Å Tobermorite via GULP * Core-shell (id:19)

calculation id: 23

added on 2016-08-09 20:37:13.043392 by lt15


type
implementation
system

forcefield
code

description

references
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files
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results
type value unit error comment
lattice constant a 6.65 Å -0.01
lattice constant b 7.3 Å -0.02
lattice constant c 24.45 Å 0.07
angle alpha 90.28 ° 0.003
angle beta 89.93 ° -0.0008
angle gamma 123.75 ° 0.002