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Pm2Al3Ge

Alexandria ALEX

Alex-ID: agm017516704 · Space group: Cm (#8)

Basic Information

Formula
Pm2Al3Ge
Alex-ID
agm017516704
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
132.27
ų
Cell a
5.8942
Å
Cell b
5.8942
Å
Cell c
7.2126
Å
α angle
53.59
°
β angle
126.41
°
γ angle
136.69
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2Al3Ge
Pm
2.00 · 33.3%
Al
3.00 · 50.0%
Ge
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0453
eV/atom
Formation energy
-0.5421
eV/atom
Corrected total energy
-28.6075
eV
Raw total energy
-28.6075
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.2493
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C3_8_spg166

Decomposition

PmAlGe PmAl2

Computed at

2025-04-13 14:54:43

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: agm017516704).

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 agm017516704
data_agm017516704
_cell_length_a     5.89423
_cell_length_b     5.89423
_cell_length_c     7.21255
_cell_angle_alpha  53.59400
_cell_angle_beta   126.40600
_cell_angle_gamma  136.69334
_cell_volume       132.26760
_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 0.56043 0.43957 0.31593 1.00000
  Pm2 Pm 0.43860 0.56140 0.68797 1.00000
  Al1 Al 0.83445 0.16555 0.28777 1.00000
  Al2 Al 0.83923 0.16077 0.90261 1.00000
  Al3 Al 0.16124 0.83876 0.10113 1.00000
  Ge1 Ge 0.15842 0.84158 0.70459 1.00000
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