Navigation

HEAS Data Platform · Materials Science Database

Pm5Ho3Ge

Alexandria ALEX

Alex-ID: agm072255161 · Space group: P1 (#1)

Basic Information

Formula
Pm5Ho3Ge
Alex-ID
agm072255161
Elements
3
Sites
9
Space group
P1 (#1)
Crystal system
triclinic
Volume
288.45
ų
Cell a
6.1222
Å
Cell b
6.3947
Å
Cell c
8.4566
Å
α angle
94.75
°
β angle
106.38
°
γ angle
111.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm5Ho3Ge
Pm
5.00 · 55.6%
Ho
3.00 · 33.3%
Ge
1.00 · 11.1%

Energy & Stability

Energy above hull
0.1417
eV/atom
Formation energy
-0.0976
eV/atom
Corrected total energy
-42.9847
eV
Raw total energy
-42.9847
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0570
eV
DOS at Fermi level
10.8364
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C5_1100_spg1

Decomposition

Pm3Ho5 Ho5Ge3 Pm

Computed at

2024-09-24 10:13:28.346594

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: agm072255161).

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 agm072255161
data_agm072255161
_cell_length_a     6.12216
_cell_length_b     6.39474
_cell_length_c     8.45664
_cell_angle_alpha  94.74619
_cell_angle_beta   106.38080
_cell_angle_gamma  111.74546
_cell_volume       288.44677
_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 0.18111 0.41740 0.35853 1.00000
  Pm2 Pm 0.97309 0.32439 0.91569 1.00000
  Pm3 Pm 0.99215 0.83870 0.21671 1.00000
  Pm4 Pm 0.49443 0.72414 0.82705 1.00000
  Pm5 Pm 0.52620 0.22812 0.12032 1.00000
  Ho1 Ho 0.66597 0.95413 0.47813 1.00000
  Ho2 Ho 0.30396 0.13664 0.66175 1.00000
  Ho3 Ho 0.81579 0.51756 0.55648 1.00000
  Ge1 Ge 0.04723 0.85887 0.86531 1.00000
Get direct link