Structure info | |
---|---|
Layer group | p6/mmm |
Layer group number | 80 |
Structure origin | original03-18 |
COD id of parent bulk structure | COD 9012705 |
ICSD id of parent bulk structure | ICSD 96620 |
Mono/few-layer report(s) | 10.1126/science.1102896 |
Stability | |
---|---|
Energy above convex hull [eV/atom] | 0.000 |
Heat of formation [eV/atom] | -0.007 |
Dynamically stable | Yes |
Basic properties | |
---|---|
Magnetic state | NM |
Band gap [eV] | 0.000 |
Band gap (HSE06) [eV] | 0.000 |
Cij (N/m) | xx | yy | xy |
xx | 345.65 | 70.61 | 0.00 |
yy | 70.57 | 345.58 | 0.00 |
xy | -0.00 | -0.00 | 275.09 |
Stiffness tensor eigenvalues | |
Eigenvalue 0 | 275.03 N/m |
Eigenvalue 1 | 275.09 N/m |
Eigenvalue 2 | 416.20 N/m |
Property | Value |
---|---|
Minimum eigenvalue of Hessian [eV/Ų] | -0.00 |
Property | Value |
---|---|
KVP: Band gap (HSE06) [eV] | 0.00 |
KVP: Direct band gap (HSE06) [eV] | 0.00 |
Valence band maximum wrt. vacuum level (HSE06) | -4.21 eV |
Conduction band minimum wrt. vacuum level (HSE06) | -4.21 eV |
Properties | |
---|---|
Static interband polarizability at (x) [Å] | 6.575 |
Static interband polarizability at (y) [Å] | 6.575 |
Static interband polarizability at (z) [Å] | 0.153 |
Plasma frequency (x) [Å0.5] | 0.000 |
Plasma frequency (y) [Å0.5] | 0.000 |
Mode | Frequency (1/cm) | Degeneracy |
---|---|---|
Mode 1 | 0. | 3 |
Mode 2 | 847.7 | 1 |
Mode 3 | 1611.6 | 2 |
Property | Value |
---|---|
# | Chemical symbol | Charges [|e|] |
---|---|---|
0 | C | 0.05 |
1 | C | -0.05 |
Miscellaneous details | |
---|---|
Unique ID | 2C-1 |
Number of atoms | 2 |
Number of species | 1 |
Formula | C2 |
Reduced formula | C |
Stoichiometry | A |
Unit cell area [Å2] | 5.272 |
Original file-system folder | /home/niflheim2/cmr/C2DB-ASR/tree/A/C/C2-a6735a4a3797 |
Old uid | C2-a6735a4a3797 |
Inversion symmetry | Yes |
Layer group | p6/mmm |
Layer group number | 80 |
Structure origin | original03-18 |
Band gap [eV] | 0.000 |
gap_dir | 0.000 |
gap_dir_nosoc | 0.000 |
Vacuum level [eV] | 2.336 |
Fermi level [eV] | -1.912 |
minhessianeig | -0.000 |
Dynamically stable | Yes |
Miscellaneous details | |
---|---|
Band gap (HSE06) [eV] | 0.000 |
gap_dir_hse | 0.000 |
vbm_hse | -1.877 |
cbm_hse | -1.877 |
Static interband polarizability at (x) [Å] | 6.575 |
Static interband polarizability at (y) [Å] | 6.575 |
Static interband polarizability at (z) [Å] | 0.153 |
Plasma frequency (x) [Å0.5] | 0.000 |
Plasma frequency (y) [Å0.5] | 0.000 |
Energy [eV] | -18.454 |
ICSD id of parent bulk structure | ICSD 96620 |
COD id of parent bulk structure | COD 9012705 |
Mono/few-layer report(s) | 10.1126/science.1102896 |
Magnetic state | NM |
Spin axis | z |
Magnetic anisotropy energy, xz [meV/unit cell] | 0.000 |
Magnetic anisotropy energy, yz [meV/unit cell] | 0.000 |
Energy above convex hull [eV/atom] | 0.000 |
Heat of formation [eV/atom] | -0.007 |