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Pm5(HoGe2)2

Alexandria ALEX

Alex-ID: agm003361985 · Space group: C2/m (#12)

Basic Information

Formula
Pm5(HoGe2)2
Alex-ID
agm003361985
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
334.59
ų
Cell a
3.8239
Å
Cell b
8.2470
Å
Cell c
12.9430
Å
α angle
123.60
°
β angle
98.49
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm5(HoGe2)2
Pm
5.00 · 45.5%
Ho
2.00 · 18.2%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.4454
eV/atom
Formation energy
-0.2838
eV/atom
Corrected total energy
-54.5016
eV
Raw total energy
-54.5016
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.1815
Total magnetisation
0.0012
μB

Additional Information

Prototype ID

A2B4C5_236_spg12

Decomposition

Pm5Ge3 Ho5Ge3 Pm

Computed at

2022-02-05 04:54:01.871369

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: agm003361985).

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 agm003361985
data_agm003361985
_cell_length_a     3.82386
_cell_length_b     8.24699
_cell_length_c     12.94297
_cell_angle_alpha  123.59744
_cell_angle_beta   98.49480
_cell_angle_gamma  90.00000
_cell_volume       334.58710
_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 0.10062 0.77159 0.20123 1.00000
  Pm2 Pm 0.89938 0.22841 0.79877 1.00000
  Pm3 Pm 0.16196 0.35115 0.32392 1.00000
  Pm4 Pm 0.50000 0.00000 0.00000 1.00000
  Pm5 Pm 0.83804 0.64885 0.67608 1.00000
  Ho1 Ho 0.73387 0.80375 0.46774 1.00000
  Ho2 Ho 0.26613 0.19625 0.53226 1.00000
  Ge1 Ge 0.60456 0.49202 0.20911 1.00000
  Ge2 Ge 0.97238 0.67861 0.94476 1.00000
  Ge3 Ge 0.39544 0.50798 0.79088 1.00000
  Ge4 Ge 0.02762 0.32139 0.05524 1.00000
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