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Computational Raman Database
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Fomula
:
Materials project id
:
Number of species
:
Stoichiometry
:
Raman spectra
:
All
Yes
No
IR spectra
:
All
Yes
No
Number of atoms range
:
-
Experimentallly observed
:
All
Yes
No
Dimensionality
:
All
0D
1D
2D
3D
Band gap range (eV)
:
-
Dynamically stable
:
All
Yes
No
Toggle list of keys ...
band
band
bandgap
bandgap
bandgap_mp
bandgap_mp
cbm
cbm
dimensionality
dimensionality
dimensionality_fcdimen
dimensionality_fcdimen
exp_obs
exp_obs
f_max
f_max
f_min
f_min
formula
Chemical formula
ircalc
ircalc
mass
Sum of atomic masses in unit cell
au
mp_e_above_hull
mp_e_above_hull
mpid
mpid
natoms
Number of atoms
negative_freq_Gamma
negative_freq_Gamma
negative_freq_path
negative_freq_path
nspecies
nspecies
pointgroup
pointgroup
pretty
pretty
ramancalc
ramancalc
sc_size
sc_size
spacegroup
spacegroup
stoichiometry
stoichiometry
vbm
vbm
volume
Volume of unit cell
Ang
3
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