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La8Mg4Os

Alexandria ALEX

Alex-ID: agm097895622 · Space group: Cm (#8)

Basic Information

Formula
La8Mg4Os
Alex-ID
agm097895622
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
412.66
ų
Cell a
5.3596
Å
Cell b
9.4454
Å
Cell c
9.9342
Å
α angle
60.25
°
β angle
90.04
°
γ angle
106.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8Mg4Os
La
8.00 · 61.5%
Mg
4.00 · 30.8%
Os
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1027
eV/atom
Formation energy
-0.0288
eV/atom
Corrected total energy
-57.4021
eV
Raw total energy
-57.4021
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0261
eV
DOS at Fermi level
14.9121
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1756_spg8

Decomposition

La4MgOs LaMg La

Computed at

2025-06-16 19:38:22

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: agm097895622).

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 agm097895622
data_agm097895622
_cell_length_a     5.35962
_cell_length_b     9.44541
_cell_length_c     9.93415
_cell_angle_alpha  60.24657
_cell_angle_beta   90.04322
_cell_angle_gamma  106.49723
_cell_volume       412.65504
_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
  La1 La 0.45974 0.15083 0.19444 1.00000
  La2 La 0.22721 0.68483 0.18208 1.00000
  La3 La 0.25006 0.72973 0.59524 1.00000
  La4 La 0.40054 0.03459 0.71995 1.00000
  La5 La 0.80036 0.83080 0.30563 1.00000
  La6 La 0.58692 0.40567 0.35184 1.00000
  La7 La 0.58604 0.40129 0.76910 1.00000
  La8 La 0.74572 0.72283 0.91069 1.00000
  Mg1 Mg 0.94622 0.12176 0.92749 1.00000
  Mg2 Mg 0.10302 0.43712 0.01140 1.00000
  Mg3 Mg 0.06367 0.35831 0.57279 1.00000
  Mg4 Mg 0.92666 0.08517 0.46568 1.00000
  Os1 Os 0.40384 0.03707 0.99368 1.00000
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