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La2CeHoMg4

Alexandria ALEX

Alex-ID: agm033211574 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
La2CeHoMg4
Alex-ID
agm033211574
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
234.59
ų
Cell a
9.5191
Å
Cell b
9.5191
Å
Cell c
9.5191
Å
α angle
33.54
°
β angle
33.54
°
γ angle
33.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2CeHoMg4
La
2.00 · 25.0%
Ce
1.00 · 12.5%
Ho
1.00 · 12.5%
Mg
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0528
eV/atom
Formation energy
-0.0471
eV/atom
Corrected total energy
-27.1223
eV
Raw total energy
-27.1223
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.9843
Total magnetisation
1.0807
μB

Additional Information

Prototype ID

ABC2D4_43_spg5

Decomposition

LaMg3 Ho2Mg LaMg Ce

Computed at

2025-07-01 05:25:52

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: agm033211574).

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 agm033211574
data_agm033211574
_cell_length_a     9.51906
_cell_length_b     9.51906
_cell_length_c     9.51906
_cell_angle_alpha  33.54467
_cell_angle_beta   33.54467
_cell_angle_gamma  33.54467
_cell_volume       234.59445
_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
  La1 La 0.24937 0.24937 0.24937 1.00000
  La2 La 0.75063 0.75063 0.75063 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.50000 0.50000 0.50000 1.00000
  Mg1 Mg 0.62393 0.62393 0.62393 1.00000
  Mg2 Mg 0.12588 0.12588 0.12588 1.00000
  Mg3 Mg 0.87412 0.87412 0.87412 1.00000
  Mg4 Mg 0.37607 0.37607 0.37607 1.00000
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