Materials id 14535 / In(PO3)3 / Cc (9)

Phonon band structure

../../_images/mp-14535-band.png

Phonon DOS

../../_images/mp-14535-dos.png

Thermal properties at constant volume

Imaginary modes are excluded if they exist.

../../_images/mp-14535-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,    19.7440683600000000,     0.0000000000000000 ] # b
- [    -5.8587648799999998,     0.0000000000000000,     7.7658294999999997 ] # c
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  coordinates: [  0.9003620300000000,  0.4219563500000000,  0.9887649200000000 ]
  mass: 114.818000
poscar_order:
- 1
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- 10
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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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