Navigation

HEAS Data Platform · Materials Science Database

La8Ho2Mg3

Alexandria ALEX

Alex-ID: agm005643746 · Space group: P2/m (#10)

Basic Information

Formula
La8Ho2Mg3
Alex-ID
agm005643746
Elements
3
Sites
13
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
441.73
ų
Cell a
5.5483
Å
Cell b
13.8616
Å
Cell c
6.6599
Å
α angle
120.41
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8Ho2Mg3
La
8.00 · 61.5%
Ho
2.00 · 15.4%
Mg
3.00 · 23.1%

Energy & Stability

Energy above hull
0.1061
eV/atom
Formation energy
0.0517
eV/atom
Corrected total energy
-52.6884
eV
Raw total energy
-52.6884
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0153
eV
DOS at Fermi level
16.5049
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_489_spg10

Decomposition

La7Ho LaHo2 LaMg

Computed at

2023-06-18 22:15:14.325138

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: agm005643746).

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 agm005643746
data_agm005643746
_cell_length_a     5.54825
_cell_length_b     13.86158
_cell_length_c     6.65989
_cell_angle_alpha  120.40959
_cell_angle_beta   90.00086
_cell_angle_gamma  90.00054
_cell_volume       441.73259
_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 1.00000 0.62490 0.27725 1.00000
  La2 La 0.00000 0.37510 0.72275 1.00000
  La3 La 0.00000 0.06426 0.32421 1.00000
  La4 La 1.00000 0.93574 0.67579 1.00000
  La5 La 0.50001 0.55884 0.80721 1.00000
  La6 La 0.49999 0.15497 0.74530 1.00000
  La7 La 0.50001 0.84503 0.25470 1.00000
  La8 La 0.49999 0.44116 0.19279 1.00000
  Ho1 Ho 0.49999 0.25387 0.36924 1.00000
  Ho2 Ho 0.50001 0.74613 0.63076 1.00000
  Mg1 Mg 0.50000 0.00000 0.00000 1.00000
  Mg2 Mg 0.99999 0.25322 0.09441 1.00000
  Mg3 Mg 0.00001 0.74678 0.90559 1.00000
Get direct link