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CeHoGa4

Alexandria ALEX

Alex-ID: agm014307293 · Space group: Immm (#71)

Basic Information

Formula
CeHoGa4
Alex-ID
agm014307293
Elements
3
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
128.79
ų
Cell a
5.9147
Å
Cell b
5.9147
Å
Cell c
5.9147
Å
α angle
137.82
°
β angle
103.21
°
γ angle
91.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeHoGa4
Ce
1.00 · 16.7%
Ho
1.00 · 16.7%
Ga
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0088
eV/atom
Formation energy
-0.6029
eV/atom
Corrected total energy
-26.2473
eV
Raw total energy
-26.2473
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0022
eV
DOS at Fermi level
7.0107
Total magnetisation
0.5886
μB

Additional Information

Prototype ID

ABC4_600_spg12

Decomposition

CeHoGa4

Computed at

2025-04-16 00:47:12

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: agm014307293).

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 agm014307293
data_agm014307293
_cell_length_a     5.91470
_cell_length_b     5.91470
_cell_length_c     5.91470
_cell_angle_alpha  137.81726
_cell_angle_beta   103.21330
_cell_angle_gamma  91.74299
_cell_volume       128.79416
_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
  Ce1 Ce 0.00000 0.50000 0.50000 1.00000
  Ho1 Ho 0.50000 0.00000 0.50000 1.00000
  Ga1 Ga 0.41196 0.24485 0.16711 1.00000
  Ga2 Ga 0.07774 0.24485 0.83289 1.00000
  Ga3 Ga 0.58804 0.75515 0.83289 1.00000
  Ga4 Ga 0.92226 0.75515 0.16711 1.00000
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