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SrLa3Os

Alexandria ALEX

Alex-ID: agm003147995 · Space group: P2_1/c (#14)

Basic Information

Formula
SrLa3Os
Alex-ID
agm003147995
Elements
3
Sites
20
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
774.52
ų
Cell a
30.6696
Å
Cell b
7.1801
Å
Cell c
10.2455
Å
α angle
90.00
°
β angle
159.92
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrLa3Os
Sr
4.00 · 20.0%
Os
4.00 · 20.0%
La
12.00 · 60.0%

Energy & Stability

Energy above hull
0.0607
eV/atom
Formation energy
-0.0701
eV/atom
Corrected total energy
-112.2083
eV
Raw total energy
-112.2083
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0135
eV
DOS at Fermi level
14.4464
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_405_spg14

Decomposition

La5Os2 Sr La4Os

Computed at

2016-04-06 09:43:24

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: agm003147995).

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 agm003147995
data_agm003147995
_cell_length_a     30.66957
_cell_length_b     7.18014
_cell_length_c     10.24552
_cell_angle_alpha  90.00000
_cell_angle_beta   159.92283
_cell_angle_gamma  90.00000
_cell_volume       774.51537
_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 0.18815 0.09348 0.99388 1.00000
  Sr2 Sr 0.81185 0.90652 0.00612 1.00000
  Sr3 Sr 0.31185 0.59348 0.50612 1.00000
  Sr4 Sr 0.68815 0.40652 0.49388 1.00000
  Os1 Os 0.57278 0.74329 0.79734 1.00000
  Os2 Os 0.42722 0.25671 0.20266 1.00000
  Os3 Os 0.92722 0.24329 0.70266 1.00000
  Os4 Os 0.07278 0.75671 0.29734 1.00000
  La1 La 0.32563 0.91401 0.03438 1.00000
  La2 La 0.67437 0.08599 0.96562 1.00000
  La3 La 0.17437 0.41401 0.46562 1.00000
  La4 La 0.82563 0.58599 0.53438 1.00000
  La5 La 0.43605 0.42944 0.48656 1.00000
  La6 La 0.56395 0.57056 0.51344 1.00000
  La7 La 0.06395 0.92944 0.01344 1.00000
  La8 La 0.93605 0.07056 0.98656 1.00000
  La9 La 0.55911 0.90499 0.99185 1.00000
  La10 La 0.44089 0.09501 0.00815 1.00000
  La11 La 0.94089 0.40499 0.50815 1.00000
  La12 La 0.05911 0.59501 0.49185 1.00000
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