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PHONON DISPERSION RELATIONS DATABASE


alpha-N_2


Space group: Pm-3n, No=223
Structural Parameters [1]: a=6.164(1)A
Atoms
x
y
z
N1
0.042
0.042
0.042
N2
0.239
0.531
0.080

Phonon dispersion relations masured by neutron scattering and calculated from 6-12 potential with 3 parameters [2].
Phonon Dispersion Relations of N2

References
<I> Phonon Dispersion Relations Database

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PHONON DISPERSION RELATIONS DATABASE


NaCl


Space group: Fm-3m, No=225
Structural Parameters [1]: a=5.6402A
Atoms
x
y
z
Cl
0.0000
0.0000
0.0000
Na
0.5000
0.5000
0.5000

Phonon dispersion relations masured by neutron scattering [2] and from shell model with 11 parameters [3,4].
Phonon Dispersion Relations of Na

References