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Pr4Ho5

Alexandria ALEX

Alex-ID: agm009348299 · Space group: C2/m (#12)

Basic Information

Formula
Pr4Ho5
Alex-ID
agm009348299
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
299.04
ų
Cell a
6.2397
Å
Cell b
6.2397
Å
Cell c
10.8221
Å
α angle
73.34
°
β angle
73.34
°
γ angle
48.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pr4Ho5
Pr
4.00 · 44.4%
Ho
5.00 · 55.6%

Energy & Stability

Energy above hull
0.0248
eV/atom
Formation energy
0.0230
eV/atom
Corrected total energy
-41.8211
eV
Raw total energy
-41.8211
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.0167
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_97_spg12

Decomposition

Pr2Ho7 Pr

Computed at

2024-05-10 13:09:17.585093

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: agm009348299).

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 agm009348299
data_agm009348299
_cell_length_a     6.23975
_cell_length_b     6.23975
_cell_length_c     10.82208
_cell_angle_alpha  73.34127
_cell_angle_beta   73.34127
_cell_angle_gamma  48.38175
_cell_volume       299.03735
_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
  Pr1 Pr 0.66491 0.66491 0.11061 1.00000
  Pr2 Pr 0.33509 0.33509 0.88939 1.00000
  Pr3 Pr 0.66674 0.66674 0.44565 1.00000
  Pr4 Pr 0.33326 0.33326 0.55435 1.00000
  Ho1 Ho 0.66624 0.66624 0.77798 1.00000
  Ho2 Ho 0.33376 0.33376 0.22202 1.00000
  Ho3 Ho 0.99884 0.99884 0.66860 1.00000
  Ho4 Ho 0.00116 0.00116 0.33140 1.00000
  Ho5 Ho 0.00000 0.00000 0.00000 1.00000
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