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Ac3LaOs

Alexandria ALEX

Alex-ID: agm017179479 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Ac3LaOs
Alex-ID
agm017179479
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
386.69
ų
Cell a
7.9794
Å
Cell b
7.9794
Å
Cell c
9.0161
Å
α angle
55.28
°
β angle
124.72
°
γ angle
105.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac3LaOs
Ac
6.00 · 60.0%
La
2.00 · 20.0%
Os
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0014
eV/atom
Formation energy
-0.0823
eV/atom
Corrected total energy
-57.7881
eV
Raw total energy
-57.7881
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
10.6969
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_371_spg71

Decomposition

Ac4Os La7Os3 Ac

Computed at

2025-01-21 03:07:47

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: agm017179479).

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 agm017179479
data_agm017179479
_cell_length_a     7.97936
_cell_length_b     7.97936
_cell_length_c     9.01610
_cell_angle_alpha  55.28001
_cell_angle_beta   124.71999
_cell_angle_gamma  105.82359
_cell_volume       386.69050
_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 0.16338 0.24250 0.21217 1.00000
  Ac2 Ac 0.75750 0.83662 0.21217 1.00000
  Ac3 Ac 0.24250 0.16338 0.78783 1.00000
  Ac4 Ac 0.29497 0.70503 0.34123 1.00000
  Ac5 Ac 0.83662 0.75750 0.78783 1.00000
  Ac6 Ac 0.70503 0.29497 0.65877 1.00000
  La1 La 0.30152 0.69848 0.76356 1.00000
  La2 La 0.69848 0.30152 0.23644 1.00000
  Os1 Os 0.40469 0.59531 0.14762 1.00000
  Os2 Os 0.59531 0.40469 0.85238 1.00000
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