CederGroupHub/MaterialParser
Utility to compile string of chemical terms into data structure with chemical formula and composition
PythonMIT
Issues
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- 1
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delta sometimes appears in 'amount'
#16 opened by CJBartel - 1
Some materials that are not parsed in data v11
#26 opened by hhaoyan - 0
remove "()"
#23 opened by OlgaGKononova - 1
Distinguish oxygen deficiency from oxygen excess
#15 opened by CJBartel - 0
- 1
'elements' dictionary is empty
#17 opened by CJBartel - 1
descriptive string appears in 'amount'
#19 opened by CJBartel - 0
keep or remove H2O from material_formula
#21 opened by OlgaGKononova - 0
- 1
Sort out elements and ions
#7 opened by OlgaGKononova - 0
Materials Parser - some problems
#1 opened by tiagobotari - 2
Materials with the form A(BC)x
#2 opened by nicolas-mng