Materials id 18495 / SrLi(B3O5)3 / R3c (161)

Phonon band structure

../../_images/mp-18495-band.png

Phonon DOS

../../_images/mp-18495-dos.png

Thermal properties at constant volume

Imaginary modes are excluded if they exist.

../../_images/mp-18495-tprops.png

POSCAR.yaml

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

lattice:
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- [    -5.2957631000000003,     9.1725307699999998,     0.0000000000000000 ] # b
- [     0.0000000000000000,     0.0000000000000000,    17.7316583200000011 ] # c
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  coordinates: [  0.6666666700000000,  0.3333333300000000,  0.3284625800000000 ]
  mass: 87.620000
poscar_order:
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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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