Materials id 15560 / Ga(PO3)3 / Cc (9)

Phonon band structure

../../_images/mp-15560-band.png

Phonon DOS

../../_images/mp-15560-dos.png

Thermal properties at constant volume

Imaginary modes are excluded if they exist.

../../_images/mp-15560-tprops.png

POSCAR.yaml

POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation.

lattice:
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- [     0.0000000000000000,    19.0192333100000006,     0.0000000000000000 ] # b
- [    -5.6003022900000001,     0.0000000000000000,     7.5038660100000003 ] # c
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- symbol: Ga # 156
  coordinates: [  0.7506499900000000,  0.2442472800000000,  0.0002837100000000 ]
  mass: 69.723000
poscar_order:
- 1
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- 156

Citation

The initial crystal structure used to perform phonon calculation is obtained from the Materials Project. The phonon band structure paths are determined using SeeK-path. More details about how to obtain the crystal structure, how to determine the band structure paths, and those citations are found at References and citations.

License

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