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AcLa3Ag4

Alexandria ALEX

Alex-ID: agm018756089 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
AcLa3Ag4
Alex-ID
agm018756089
Elements
3
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
230.89
ų
Cell a
9.4757
Å
Cell b
9.4757
Å
Cell c
9.4757
Å
α angle
33.50
°
β angle
33.50
°
γ angle
33.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AcLa3Ag4
Ac
1.00 · 12.5%
La
3.00 · 37.5%
Ag
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0093
eV/atom
Formation energy
-0.2533
eV/atom
Corrected total energy
-32.3218
eV
Raw total energy
-32.3218
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5884
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_88_spg166

Decomposition

LaAg AcAg

Computed at

2025-07-01 16:03:37

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: agm018756089).

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 agm018756089
data_agm018756089
_cell_length_a     9.47566
_cell_length_b     9.47566
_cell_length_c     9.47566
_cell_angle_alpha  33.50395
_cell_angle_beta   33.50395
_cell_angle_gamma  33.50395
_cell_volume       230.88864
_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 0.50000 0.50000 0.50000 1.00000
  La1 La 0.00000 0.00000 0.00000 1.00000
  La2 La 0.25066 0.25066 0.25066 1.00000
  La3 La 0.74934 0.74934 0.74934 1.00000
  Ag1 Ag 0.87743 0.87743 0.87743 1.00000
  Ag2 Ag 0.62696 0.62696 0.62696 1.00000
  Ag3 Ag 0.12257 0.12257 0.12257 1.00000
  Ag4 Ag 0.37304 0.37304 0.37304 1.00000
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