ASK:
a cubic box containing 93 Si atoms, 1 Ti atom, and 6 B atoms, with a side length of 12.43975 Angstroms, please calculate the density
ANSWER 中的计算错误部分:
mass = 93 * 28.0855 + 1 * 47.867 + 6 * 10.81 = 2735.1285 g/mol (正确答案为:2724.6785 )
提示相关错误,其再次输出
mass = 93 * 28.0855 + 1 * 47.867 + 6 * 10.81
mass = 2613.4565 g/mol (正确答案为:2724.6785 )
再次提醒后输出
total mass = 2608.7315 g + 47.867 g + 64.86 g
total mass = 2721.4595 g (比较接近了,正确答案为:2724.6785 )
大家可以测试一下,使用其做一些简单计算时请小心,注意核对。