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Stoichiometry:
Number of chemical species:
1
2
3
Charge:
-3
-2
-1
0
1
2
3
Found 500 rows out of 1837, showing rows 1-25
Add column:
Formula
Reduced formula
Stoichiometry
Number of species
Number of atoms
Unit cell area [Å
2
]
Magnetic state
Host crystal type
Host C2DB link
Host space group
Host point group
Heat of formation of host material [eV/atom]
Band gap of host material (PBE) [eV]
Band gap of host material (HSE) [eV]
Energy [eV]
Defect-defect distance [Ang]
Host crystal
Defect
Charge
Unique ID
Point group
Ag2Br2Se4
Ag_Br
0
Br11Ag13Se24-003ab6d97432
C1
Ag2Br2Se4
Ag_Se
0
Br12Ag13Se23-543f17d8851f
C1
Ag2Br2Se4
Br_Ag
0
Ag11Br13Se24-dc5d51f861a4
C1
Ag2Br2Se4
Br_Se
0
Ag12Br13Se23-6ac1c9591034
C1
Ag2Br2Se4
Se_Ag
0
Ag11Br12Se25-28078f45343f
C1
Ag2Br2Se4
Se_Br
0
Br11Ag12Se25-f22d5a75cc3e
C1
Ag2Br2Se4
v_Ag
0
Ag11Br12Se24-4d72d83f103f
Ag2Br2Se4
v_Br
0
Br11Ag12Se24-2138ca902bcf
C1
Ag2Br2Se4
v_Se
0
Ag12Br12Se23-1dff618e4814
Ag2Cl2Se4
Ag_Cl
0
Cl11Ag13Se24-3b64f17617ca
C1
Ag2Cl2Se4
Ag_Se
0
Cl12Ag13Se23-03985708a1c9
C1
Ag2Cl2Se4
Cl_Ag
0
Ag11Cl13Se24-693952808537
C1
Ag2Cl2Se4
Cl_Se
0
Ag12Cl13Se23-cbe3abb7244b
C1
Ag2Cl2Se4
Se_Ag
0
Ag11Cl12Se25-5fb087e7d865
C1
Ag2Cl2Se4
Se_Cl
0
Cl11Ag12Se25-ae6282738c9c
C1
Ag2Cl2Se4
v_Ag
0
Ag11Cl12Se24-bebfe06a8e59
Ag2Cl2Se4
v_Cl
0
Cl11Ag12Se24-68c97946caee
C1
Ag2Cl2Se4
v_Se
0
Ag12Cl12Se23-ac9a5ca4a17a
C1
Al2Br2Se2
Al_Br
0
Br23Se24Al25-b1d268abed30
Al2Br2Se2
Al_Se
0
Se23Br24Al25-d8961c9658a5
Al2Br2Se2
Br_Al
0
Al23Se24Br25-e0cd0fed57cf
Al2Br2Se2
Br_Se
0
Se23Al24Br25-e89e9d0f8de3
Al2Br2Se2
Se_Al
0
Al23Br24Se25-02fca4f18dbc
Al2Br2Se2
Se_Br
0
Br23Al24Se25-6f837450e522
Al2Br2Se2
v_Al
0
Al23Br24Se24-75e9c807da91
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