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Ho2Er3Al2

Alexandria ALEX

Alex-ID: agm009183155 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Er3Al2
Alex-ID
agm009183155
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
186.59
ų
Cell a
6.5258
Å
Cell b
6.5258
Å
Cell c
8.3588
Å
α angle
81.11
°
β angle
98.89
°
γ angle
147.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Er3Al2
Ho
2.00 · 28.6%
Er
3.00 · 42.9%
Al
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0364
eV/atom
Formation energy
-0.2186
eV/atom
Corrected total energy
-31.8669
eV
Raw total energy
-31.8669
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.9252
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A2B2C3_22_spg12

Decomposition

HoEr5 HoErAl Er2Al

Computed at

2025-06-07 10:00:29

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: agm009183155).

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 agm009183155
data_agm009183155
_cell_length_a     6.52578
_cell_length_b     6.52578
_cell_length_c     8.35879
_cell_angle_alpha  81.10889
_cell_angle_beta   98.89111
_cell_angle_gamma  147.91986
_cell_volume       186.59446
_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
  Ho1 Ho 0.24378 0.75622 0.66428 1.00000
  Ho2 Ho 0.75622 0.24378 0.33572 1.00000
  Er1 Er 0.50000 0.50000 0.50000 1.00000
  Er2 Er 0.37435 0.62565 0.05838 1.00000
  Er3 Er 0.62565 0.37435 0.94162 1.00000
  Al1 Al 0.05772 0.94228 0.22550 1.00000
  Al2 Al 0.94228 0.05772 0.77450 1.00000
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