Navigation

HEAS Data Platform · Materials Science Database

Ac5Eu

Alexandria ALEX

Alex-ID: agm077914540 · Space group: P4/mmm (#123)

Basic Information

Formula
Ac5Eu
Alex-ID
agm077914540
Elements
2
Sites
6
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
268.41
ų
Cell a
3.9976
Å
Cell b
3.9976
Å
Cell c
16.7957
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac5Eu
Ac
5.00 · 83.3%
Eu
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0114
eV/atom
Formation energy
0.0114
eV/atom
Corrected total energy
-30.7482
eV
Raw total energy
-30.7482
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
9.0625
Total magnetisation
-7.8602
μB

Additional Information

Prototype ID

AB5_235_spg123

Decomposition

Eu Ac

Computed at

2025-04-13 21:58:44

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: agm077914540).

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 agm077914540
data_agm077914540
_cell_length_a     3.99763
_cell_length_b     3.99763
_cell_length_c     16.79568
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       268.41212
_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 0.00000 0.00000 0.33332 1.00000
  Ac2 Ac 0.00000 0.00000 0.66668 1.00000
  Ac3 Ac 0.50000 0.50000 0.16920 1.00000
  Ac4 Ac 0.50000 0.50000 0.83080 1.00000
  Ac5 Ac 0.00000 0.00000 0.00000 1.00000
  Eu1 Eu 0.50000 0.50000 0.50000 1.00000
Get direct link