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Ac2LaHo2

Alexandria ALEX

Alex-ID: agm012004333 · Space group: P-3m1 (#164)

Basic Information

Formula
Ac2LaHo2
Alex-ID
agm012004333
Elements
3
Sites
5
Space group
P-3m1 (#164)
Crystal system
trigonal
Volume
187.14
ų
Cell a
3.7878
Å
Cell b
3.7878
Å
Cell c
15.0614
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2LaHo2
Ac
2.00 · 40.0%
La
1.00 · 20.0%
Ho
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0451
eV/atom
Formation energy
0.0400
eV/atom
Corrected total energy
-22.1013
eV
Raw total energy
-22.1013
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.2687
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_237_spg1

Decomposition

LaHo2 Ac

Computed at

2025-04-16 15:25:04

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: agm012004333).

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 agm012004333
data_agm012004333
_cell_length_a     3.78779
_cell_length_b     3.78779
_cell_length_c     15.06145
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       187.14127
_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
  Ac1 Ac 0.66667 0.33333 0.71047 1.00000
  Ac2 Ac 0.33333 0.66667 0.28953 1.00000
  La1 La 0.00000 0.00000 0.50000 1.00000
  Ho1 Ho 0.33333 0.66667 0.90915 1.00000
  Ho2 Ho 0.66667 0.33333 0.09085 1.00000
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