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Pm8MgRh4

Alexandria ALEX

Alex-ID: agm097714739 · Space group: Pm (#6)

Basic Information

Formula
Pm8MgRh4
Alex-ID
agm097714739
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
360.17
ų
Cell a
3.8529
Å
Cell b
9.5607
Å
Cell c
12.2723
Å
α angle
52.82
°
β angle
90.01
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8MgRh4
Pm
8.00 · 61.5%
Mg
1.00 · 7.7%
Rh
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1047
eV/atom
Formation energy
-0.4424
eV/atom
Corrected total energy
-74.7560
eV
Raw total energy
-74.7560
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0391
eV
DOS at Fermi level
11.3361
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1386_spg8

Decomposition

Pm7Rh3 PmMgRh

Computed at

2025-06-16 20:21:06

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: agm097714739).

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 agm097714739
data_agm097714739
_cell_length_a     3.85294
_cell_length_b     9.56067
_cell_length_c     12.27227
_cell_angle_alpha  52.81708
_cell_angle_beta   90.01231
_cell_angle_gamma  90.01204
_cell_volume       360.16878
_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 0.30749 0.19106 0.26468 1.00000
  Pm2 Pm 0.30761 0.72725 0.08042 1.00000
  Pm3 Pm 0.30755 0.75177 0.59313 1.00000
  Pm4 Pm 0.30751 0.01025 0.71406 1.00000
  Pm5 Pm 0.80769 0.83160 0.29509 1.00000
  Pm6 Pm 0.80749 0.37582 0.41702 1.00000
  Pm7 Pm 0.80775 0.36812 0.70215 1.00000
  Pm8 Pm 0.80740 0.55845 0.90319 1.00000
  Mg1 Mg 0.30894 0.14183 0.99182 1.00000
  Rh1 Rh 0.80787 0.00882 0.90417 1.00000
  Rh2 Rh 0.80752 0.45807 0.16063 1.00000
  Rh3 Rh 0.30755 0.56199 0.46724 1.00000
  Rh4 Rh 0.80763 0.01498 0.50641 1.00000
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