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gsj+LiYCl data

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koko
2025-09-23 18:32:34 +08:00
parent 28c2323ce8
commit 76105a631d
10 changed files with 430478 additions and 37516 deletions
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2
corner-sharing/utils/CS_analyse.py
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@@ -128,7 +128,7 @@ def CS_count(struct, shared_count, sp='Li'):
return CS_count
structure = Structure.from_file("data/CS_Table1/Li3Al(BO3)2_mp-6097_computed.cif")
structure = Structure.from_file("../data/0921/wjy_001.cif")
a = CS_catulate(structure,notice=True)
b = CS_count(structure,a)
print(f"{a}\n{b}")