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Ho4AlGa2

Alexandria ALEX

Alex-ID: agm003448403 · Space group: Imma (#74)

Basic Information

Formula
Ho4AlGa2
Alex-ID
agm003448403
Elements
3
Sites
14
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
369.07
ų
Cell a
8.1006
Å
Cell b
8.1238
Å
Cell c
8.1074
Å
α angle
130.15
°
β angle
101.26
°
γ angle
99.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4AlGa2
Ho
8.00 · 57.1%
Al
2.00 · 14.3%
Ga
4.00 · 28.6%

Energy & Stability

Energy above hull
0.2846
eV/atom
Formation energy
-0.2222
eV/atom
Corrected total energy
-59.3469
eV
Raw total energy
-59.3469
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0078
eV
DOS at Fermi level
13.3227
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

AB2C4_950_spg74

Decomposition

Ho3Ga2 HoAl

Computed at

2022-02-16 00:39:52.862262

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: agm003448403).

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 agm003448403
data_agm003448403
_cell_length_a     8.10056
_cell_length_b     8.12379
_cell_length_c     8.10741
_cell_angle_alpha  130.15013
_cell_angle_beta   101.26459
_cell_angle_gamma  99.37380
_cell_volume       369.06994
_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 0.89604 0.15024 0.25334 1.00000
  Ho2 Ho 0.35402 0.59979 0.24659 1.00000
  Ho3 Ho 0.89735 0.64288 0.74705 1.00000
  Ho4 Ho 0.78664 0.06675 0.72243 1.00000
  Ho5 Ho 0.34392 0.06341 0.27764 1.00000
  Ho6 Ho 0.35274 0.10716 0.75294 1.00000
  Ho7 Ho 0.46334 0.68315 0.77775 1.00000
  Ho8 Ho 0.90580 0.68652 0.22229 1.00000
  Al1 Al 0.12373 0.62385 0.49918 1.00000
  Al2 Al 0.12638 0.12620 0.00075 1.00000
  Ga1 Ga 0.62505 0.37483 0.74978 1.00000
  Ga2 Ga 0.62505 0.87536 0.25031 1.00000
  Ga3 Ga 0.62497 0.37496 0.24999 1.00000
  Ga4 Ga 0.12497 0.37491 0.74995 1.00000
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