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CeHoMg4

Alexandria ALEX

Alex-ID: agm070133844 · Space group: Pmmm (#47)

Basic Information

Formula
CeHoMg4
Alex-ID
agm070133844
Elements
3
Sites
6
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
155.19
ų
Cell a
3.2308
Å
Cell b
5.2682
Å
Cell c
9.1180
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeHoMg4
Ce
1.00 · 16.7%
Ho
1.00 · 16.7%
Mg
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0189
eV/atom
Formation energy
-0.0316
eV/atom
Corrected total energy
-17.0803
eV
Raw total energy
-17.0803
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
9.4699
Total magnetisation
1.3975
μB

Additional Information

Prototype ID

ABC4_579_spg44

Decomposition

HoMg3 Ce CeMg3

Computed at

2025-04-15 19:36:49

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: agm070133844).

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 agm070133844
data_agm070133844
_cell_length_a     3.23077
_cell_length_b     5.26817
_cell_length_c     9.11802
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       155.19072
_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 0.00000 0.50000 1.00000
  Ho1 Ho 0.00000 0.50000 0.00000 1.00000
  Mg1 Mg 0.50000 0.50000 0.67047 1.00000
  Mg2 Mg 0.50000 0.50000 0.32953 1.00000
  Mg3 Mg 0.50000 0.00000 0.16332 1.00000
  Mg4 Mg 0.50000 0.00000 0.83668 1.00000
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