Navigation

HEAS Data Platform · Materials Science Database

Ac8La4Mg

Alexandria ALEX

Alex-ID: agm006089296 · Space group: Pm-3m (#221)

Basic Information

Formula
Ac8La4Mg
Alex-ID
agm006089296
Elements
3
Sites
13
Space group
Pm-3m (#221)
Crystal system
cubic
Volume
577.43
ų
Cell a
11.8428
Å
Cell b
11.8428
Å
Cell c
8.3278
Å
α angle
90.00
°
β angle
135.32
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8La4Mg
Ac
8.00 · 61.5%
La
4.00 · 30.8%
Mg
1.00 · 7.7%

Energy & Stability

Energy above hull
0.4568
eV/atom
Formation energy
0.4394
eV/atom
Corrected total energy
-48.4601
eV
Raw total energy
-48.4601
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
26.3616
Total magnetisation
-0.0314
μB

Additional Information

Prototype ID

AB4C8_5_spg221

Decomposition

AcLa11 LaMg Ac

Computed at

2023-08-30 14:32:23.913598

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: agm006089296).

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 agm006089296
data_agm006089296
_cell_length_a     11.84276
_cell_length_b     11.84275
_cell_length_c     8.32775
_cell_angle_alpha  89.99964
_cell_angle_beta   135.31980
_cell_angle_gamma  120.00024
_cell_volume       577.43258
_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 0.51647 0.75823 0.27470 1.00000
  Ac2 Ac 0.48353 0.24177 0.72530 1.00000
  Ac3 Ac 0.48433 0.24216 0.23492 1.00000
  Ac4 Ac 0.00724 0.24941 0.76508 1.00000
  Ac5 Ac 0.51567 0.75784 0.76508 1.00000
  Ac6 Ac 0.00724 0.75783 0.76507 1.00000
  Ac7 Ac 0.99276 0.24217 0.23493 1.00000
  Ac8 Ac 0.99276 0.75059 0.23492 1.00000
  La1 La 0.00000 0.00000 0.00000 1.00000
  La2 La 1.00000 0.50000 1.00000 1.00000
  La3 La 0.50000 0.50000 0.00000 1.00000
  La4 La 0.50000 0.00000 0.00000 1.00000
  Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Get direct link