Navigation

HEAS Data Platform · Materials Science Database

Ac5La8Ho

Alexandria ALEX

Alex-ID: agm006111412 · Space group: P1 (#1)

Basic Information

Formula
Ac5La8Ho
Alex-ID
agm006111412
Elements
3
Sites
14
Space group
P1 (#1)
Crystal system
triclinic
Volume
551.53
ų
Cell a
8.6372
Å
Cell b
8.7895
Å
Cell c
9.3709
Å
α angle
109.76
°
β angle
110.86
°
γ angle
107.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac5La8Ho
Ac
5.00 · 35.7%
La
8.00 · 57.1%
Ho
1.00 · 7.1%

Energy & Stability

Energy above hull
0.1217
eV/atom
Formation energy
0.1203
eV/atom
Corrected total energy
-62.8560
eV
Raw total energy
-62.8560
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0227
eV
DOS at Fermi level
22.0135
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB5C8_174_spg1

Decomposition

La15Ho La7Ho Ac

Computed at

2023-08-13 17:02:37.550671

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: agm006111412).

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 agm006111412
data_agm006111412
_cell_length_a     8.63718
_cell_length_b     8.78954
_cell_length_c     9.37094
_cell_angle_alpha  109.75631
_cell_angle_beta   110.85984
_cell_angle_gamma  107.14856
_cell_volume       551.53117
_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 0.99038 0.25020 0.99821 1.00000
  Ac2 Ac 0.76040 0.88254 0.13976 1.00000
  Ac3 Ac 0.82343 0.64492 0.73125 1.00000
  Ac4 Ac 0.60595 0.10660 0.50446 1.00000
  Ac5 Ac 0.33134 0.04220 0.03427 1.00000
  La1 La 0.12171 0.73439 0.18529 1.00000
  La2 La 0.04300 0.06704 0.61885 1.00000
  La3 La 0.83111 0.34443 0.33021 1.00000
  La4 La 0.56909 0.36446 0.90246 1.00000
  La5 La 0.52774 0.59691 0.29461 1.00000
  La6 La 0.51921 0.85426 0.72624 1.00000
  La7 La 0.28192 0.32053 0.45196 1.00000
  La8 La 0.11440 0.74276 0.50056 1.00000
  Ho1 Ho 0.23032 0.54878 0.83186 1.00000
Get direct link