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Ac5(LaHo)2

Alexandria ALEX

Alex-ID: agm005565543 · Space group: C2/m (#12)

Basic Information

Formula
Ac5(LaHo)2
Alex-ID
agm005565543
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
358.78
ų
Cell a
6.6589
Å
Cell b
6.6639
Å
Cell c
19.5372
Å
α angle
117.73
°
β angle
83.08
°
γ angle
146.22
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac5(LaHo)2
Ac
5.00 · 55.6%
La
2.00 · 22.2%
Ho
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0445
eV/atom
Formation energy
0.0415
eV/atom
Corrected total energy
-39.1805
eV
Raw total energy
-39.1805
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.1510
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_587_spg12

Decomposition

La7Ho LaHo2 Ac

Computed at

2023-06-04 15:21:55.829876

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: agm005565543).

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 agm005565543
data_agm005565543
_cell_length_a     6.65889
_cell_length_b     6.66391
_cell_length_c     19.53722
_cell_angle_alpha  117.73139
_cell_angle_beta   83.08234
_cell_angle_gamma  146.22051
_cell_volume       358.78110
_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 0.56614 0.13752 0.11707 1.00000
  Ac2 Ac 0.43386 0.86248 0.88293 1.00000
  Ac3 Ac 0.79515 0.58034 0.56211 1.00000
  Ac4 Ac 0.20485 0.41966 0.43789 1.00000
  Ac5 Ac 0.00000 0.00000 0.00000 1.00000
  La1 La 0.32642 0.67102 0.66604 1.00000
  La2 La 0.67358 0.32898 0.33396 1.00000
  Ho1 Ho 0.89197 0.77231 0.77722 1.00000
  Ho2 Ho 0.10803 0.22769 0.22278 1.00000
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