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Pm8BiRh4

Alexandria ALEX

Alex-ID: agm097724188 · Space group: Cm (#8)

Basic Information

Formula
Pm8BiRh4
Alex-ID
agm097724188
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
365.51
ų
Cell a
4.3454
Å
Cell b
9.1951
Å
Cell c
11.0630
Å
α angle
121.80
°
β angle
101.33
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8BiRh4
Pm
8.00 · 61.5%
Bi
1.00 · 7.7%
Rh
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1331
eV/atom
Formation energy
-0.5347
eV/atom
Corrected total energy
-78.2431
eV
Raw total energy
-78.2431
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.7061
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_787_spg8

Decomposition

Pm5Rh3 Pm5Bi3 PmBi

Computed at

2025-06-18 08:39:25

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097724188).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm097724188
data_agm097724188
_cell_length_a     4.34541
_cell_length_b     9.19505
_cell_length_c     11.06296
_cell_angle_alpha  121.79958
_cell_angle_beta   101.33131
_cell_angle_gamma  90.00035
_cell_volume       365.50621
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Pm1 Pm 0.69304 0.38379 0.46283 1.00000
  Pm2 Pm 0.84139 0.03516 0.75814 1.00000
  Pm3 Pm 0.53869 0.63155 0.15533 1.00000
  Pm4 Pm 0.89905 0.72248 0.87467 1.00000
  Pm5 Pm 0.02328 0.27660 0.12497 1.00000
  Pm6 Pm 0.33831 0.33119 0.75326 1.00000
  Pm7 Pm 0.13896 0.02271 0.35569 1.00000
  Pm8 Pm 0.20365 0.73026 0.48383 1.00000
  Bi1 Bi 0.52423 0.00986 0.12638 1.00000
  Rh1 Rh 0.37703 0.91040 0.82919 1.00000
  Rh2 Rh 0.69473 0.93775 0.46695 1.00000
  Rh3 Rh 0.94316 0.45421 0.96331 1.00000
  Rh4 Rh 0.28448 0.55405 0.64544 1.00000
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