How to filter materials

Example filter strings:

filter

meaning

Cu>1

more than 1 Cu atom

gap>1.1

“gap” larger than 1.1

xc=PBE

“xc” equal to “PBE”

MoS2

one or more MoS2 formula units

Mo

same as Mo>0 or Mo!=0

gap

material has key named gap

Strings can be combined with “,” (and) and “|” (or). Use “~” for “not”. “Grouping can be done using “(” and “)”:

filter

meaning

Au, O=0

contains gold but no oxygen

~(Au=0 | O)

same as above

Cu | Fe

contains Cu or Fe

gap>1.1, (Cu | Fe)

band gap larger than 1.1 and contains Cu or Fe

(C|Si|Ge|Sn),Pb=0,nspecies=3

contains C, Si, Ge or Sn, no Pb and 3 species

~gap

material has no key named gap