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Number of chemical species:
1
2
3
4
5
6
7
8
9
Stoichiometry:
Magnetic:
-
No
Yes
Dynamically stable:
-
Yes
No
Unknown
Energy above convex hull [eV/atom]:
-
Band gap range [eV]:
-
PBE
HSE06
GW
Found 4254 rows out of 16905, showing rows 1-25
Add column:
2D Bravais type
P
x
P
y
P
z
Anisotropic exchange (out-of-plane) [meV]
Band gap (G₀W₀) [eV]
Band gap (HSE06) [eV]
CBM (vs. avg. vacuum) [eV]
COD id of parent bulk structure
Conduction band minimum wrt. vacuum (G₀W₀) [eV]
Conduction band minimum wrt. vacuum (HSE06) [eV]
Conduction band minimum wrt. vacuum (PBE) [eV]
Direct Half-metal gap (HSE06) [eV]
Direct Half-metal gap (PBE) [eV]
Direct band gap (G₀W₀) [eV]
Direct band gap (HSE06) [eV]
Direct band gap (PBE) [eV]
Dynamically stable
Energy [eV]
Fermi level wrt. vacuum (G₀W₀) [eV]
Fermi level wrt. vacuum (HSE) [eV]
Fermi level wrt. vacuum (PBE) [eV]
Ferroelectric
Half-metal gap (HSE06) [eV]
Half-metal gap (PBE) [eV]
ICSD id of parent bulk structure
Interband polarizability (x) [Å]
Interband polarizability (y) [Å]
Interband polarizability (z) [Å]
Inversion symmetry
Layer group number
Magnetic anisotropy energy, xz [meV/unit cell]
Magnetic anisotropy energy, yz [meV/unit cell]
Magnetic state
Maximum value of S
z
at magnetic sites
Mono/few-layer report(s)
Nearest neighbor exchange coupling [meV]
Number of atoms
Number of nearest neighbors
Number of species
Old uid
Original file-system folder
Out-of-plane dipole [e Å/unit cell]
Plasma frequency (x) [eV Å
0.5
]
Plasma frequency (y) [eV Å
0.5
]
Point group
Reduced formula
Single-ion anisotropy (out-of-plane) [meV]
Space group (bulk in AA-stacking)
Space group number (bulk in AA-stacking)
Spin axis
Spontaneous polarization [pC/m]
Static polarizability (phonons + electrons) (x) [Å]
Static polarizability (phonons + electrons) (y) [Å]
Static polarizability (phonons + electrons) (z) [Å]
Static polarizability (phonons) (x) [Å]
Static polarizability (phonons) (y) [Å]
Static polarizability (phonons) (z) [Å]
Stoichiometry
Structure origin
Thickness [Å]
Topology
Total magnetic moment [μ
B
]
Unique ID
Unit cell area [Å
2
]
VBM (vs. avg. vacuum) [eV]
Vacuum level [eV]
Vacuum level shift [eV]
Valence band maximum wrt. vacuum (G₀W₀) [eV]
Valence band maximum wrt. vacuum (HSE06) [eV]
Valence band maximum wrt. vacuum (PBE) [eV]
Work function (avg. if finite dipole) [eV]
Formula
Energy above convex hull [eV/atom]
Heat of formation [eV/atom]
Band gap (PBE) [eV]
Magnetic
Layer group
Y
2
Se
6
0.000
-1.217
0.000
No
p4/nmm
Y
2
Te
6
0.000
-0.937
0.000
No
p4/nmm
Zr
2
Br
6
0.104
-1.333
0.000
Yes
p-62m
Zr
2
Cl
6
0.083
-1.709
0.000
Yes
p-62m
As
2
0.005
0.005
1.483
No
p-3m1
Zr
2
I
6
0.126
-0.864
0.000
Yes
p-62m
Zr
2
O
6
0.155
-2.482
3.586
No
pmmn
Zr
2
S
6
0.000
-1.254
1.182
No
pmmn
C
2
0.000
-0.007
0.000
No
p6/mmm
Zr
2
Se
6
0.000
-1.078
0.410
No
pmmn
P
2
0.040
0.040
1.929
No
p-3m1
Ag
4
Br
12
0.025
-0.164
0.580
No
p112/a
Sb
2
0.074
0.074
0.983
No
p-3m1
K
4
O
12
0.000
-0.689
0.898
Yes
pmmn
As
4
0.042
0.042
0.835
No
pman
Mn
4
Cl
12
0.026
-0.880
0.497
Yes
p11a
Bi
4
0.096
0.096
0.151
No
pm2_1n
Nb
4
S
12
0.000
-0.823
0.000
No
p2_1/m11
P
4
0.039
0.039
0.903
No
pman
Nb
4
S
12
0.002
-0.820
0.376
No
p2_1/m11
Nb
4
Se
12
0.000
-0.703
0.000
No
p2_1/m11
Ta
4
S
12
0.000
-0.844
0.160
No
p2_1/m11
Ta
4
S
12
0.073
-0.771
0.207
No
p2_1/m11
Ta
4
Se
12
0.000
-0.680
0.005
No
p2_1/m11
AgI
2
CuSeS
0.092
-0.089
0.000
No
cm11
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