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SrLa3Os

Alexandria ALEX

Alex-ID: agm003147992 · Space group: C2/m (#12)

Basic Information

Formula
SrLa3Os
Alex-ID
agm003147992
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
354.70
ų
Cell a
20.7135
Å
Cell b
8.1396
Å
Cell c
8.1396
Å
α angle
145.81
°
β angle
148.07
°
γ angle
31.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrLa3Os
Sr
2.00 · 20.0%
Os
2.00 · 20.0%
La
6.00 · 60.0%

Energy & Stability

Energy above hull
0.1966
eV/atom
Formation energy
0.0658
eV/atom
Corrected total energy
-54.7449
eV
Raw total energy
-54.7449
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0027
eV
DOS at Fermi level
14.2663
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_676_spg12

Decomposition

La5Os2 Sr La4Os

Computed at

2016-04-06 04:16:59

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: agm003147992).

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 agm003147992
data_agm003147992
_cell_length_a     20.71350
_cell_length_b     8.13955
_cell_length_c     8.13955
_cell_angle_alpha  145.80914
_cell_angle_beta   148.07197
_cell_angle_gamma  31.92803
_cell_volume       354.70112
_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
  Sr1 Sr 0.89123 0.98721 0.01279 1.00000
  Sr2 Sr 0.10877 0.01279 0.98721 1.00000
  Os1 Os 0.34552 0.19890 0.80110 1.00000
  Os2 Os 0.65448 0.80110 0.19890 1.00000
  La1 La 0.46287 0.45389 0.54611 1.00000
  La2 La 0.53713 0.54611 0.45389 1.00000
  La3 La 0.20767 0.21213 0.78787 1.00000
  La4 La 0.79233 0.78787 0.21213 1.00000
  La5 La 0.67602 0.60716 0.39284 1.00000
  La6 La 0.32398 0.39284 0.60716 1.00000
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