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muchnet

铁杆木虫 (著名写手)

[求助] 求助ICSD最新数据库查询两个晶胞参数相应的信息

目前所用的破解的findit只能到2011年;想看看新的数据库是否包含以下2个结构

请在findit里面的crystal data分别输入 a b c α β γ并且用tolerances 边长 0.3 角度用0.5 搜索

每个晶胞参数对应的结构数据应该输入多次:a与α   b与β    c与γ    相应数值对应好即可

结构1        请查询6次 用tolerances 边长 0.3 角度用0.5 搜索  分别是
a = 17.72    b = 13.50    c = 15.98
α = 90        β = 90.6       γ = 90

a = 17.72    b = 15.98     c = 13.50
α = 90        β = 90          γ = 90.6

a = 13.50    b = 17.72     c = 15.98
α = 90.6      β = 90          γ = 90

a = 13.50    b = 15.98      c = 17.72
α = 90.6      β = 90           γ = 90

a = 15.98     b = 13.50      c = 17.72
α = 90         β = 90.6        γ = 90

a = 15.98     b = 17.72      c = 13.50
α = 90         β = 90            γ = 90.6


结构2      请查询3次 用tolerances 边长 0.3 角度用0.5 搜索  分别是
a = 10.16    b = 10.16    c = 18.98
α = 90        β = 90          γ = 120

a = 10.16    b = 18.98    c = 10.16
α = 90        β = 120        γ = 90

a = 18.98    b = 10.16    c = 10.16
α = 120      β = 90       γ = 90


如果有查到相应的结构 请提供一下findit里面列举的卡片和参考文献 谢谢
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