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Stoichiometry:
Number of chemical species:
1
2
3
4
5
6
7
8
9
Magnetic:
-
No
Yes
Dynamically stable:
-
Yes
No
Unknown
Energy above convex hull [eV/atom]:
-
Band gap range [eV]:
-
PBE
HSE06
GW
Found 4194 rows out of 16789, showing rows 1-25
Add column:
Reduced formula
Stoichiometry
Number of species
Number of atoms
Unique ID
Unit cell area [Å
2
]
Inversion symmetry
Vacuum level [eV]
Old uid
Energy [eV]
Spin axis
Fermi level [eV]
Dynamically stable
COD id of parent bulk structure
ICSD id of parent bulk structure
Mono/few-layer report(s)
Layer group number
Structure origin
Band gap (HSE06) [eV]
Band gap (G₀W₀) [eV]
Original file-system folder
Static interband polarizability at (x) [Å]
Static polarizability (phonons) (x) [Å]
Static polarizability (phonons + electrons) (x) [Å]
Static interband polarizability at (y) [Å]
Static polarizability (phonons) (y) [Å]
Static polarizability (phonons + electrons) (y) [Å]
Static interband polarizability at (z) [Å]
Static polarizability (phonons) (z) [Å]
Static polarizability (phonons + electrons) (z) [Å]
Plasma frequency (x) [Å
0.5
]
Plasma frequency (y) [Å
0.5
]
Formula
Energy above convex hull [eV/atom]
Heat of formation [eV/atom]
Band gap [eV]
Magnetic state
Layer group
Y
2
Se
6
0.000
-1.217
0.000
NM
p4/nmm
Y
2
Te
6
0.000
-0.937
0.000
NM
p4/nmm
Zr
2
Br
6
0.104
-1.333
0.000
FM
p-62m
Zr
2
Cl
6
0.083
-1.709
0.000
FM
p-62m
As
2
0.005
0.005
1.483
NM
p-3m1
Zr
2
I
6
0.126
-0.864
0.000
FM
p-62m
Zr
2
O
6
0.155
-2.482
3.586
NM
pmmn
Zr
2
S
6
0.000
-1.254
1.182
NM
pmmn
C
2
0.000
-0.007
0.000
NM
p6/mmm
Zr
2
Se
6
0.000
-1.078
0.410
NM
pmmn
P
2
0.040
0.040
1.929
NM
p-3m1
Ag
4
Br
12
0.025
-0.164
0.580
NM
p112/a
Sb
2
0.074
0.074
0.983
NM
p-3m1
K
4
O
12
0.000
-0.689
0.898
FM
pmmn
As
4
0.042
0.042
0.835
NM
pman
Mn
4
Cl
12
0.026
-0.880
0.497
FM
p11a
Bi
4
0.096
0.096
0.151
NM
pm2_1n
Nb
4
S
12
0.000
-0.823
0.000
NM
p2_1/m11
P
4
0.039
0.039
0.903
NM
pman
Nb
4
S
12
0.002
-0.820
0.376
NM
p2_1/m11
Nb
4
Se
12
0.000
-0.703
0.000
NM
p2_1/m11
Ta
4
S
12
0.000
-0.844
0.160
NM
p2_1/m11
Ta
4
S
12
0.073
-0.771
0.207
NM
p2_1/m11
Ta
4
Se
12
0.000
-0.680
0.005
NM
p2_1/m11
BrIPtZrS
2
0.098
-0.916
0.000
NM
p1
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