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SrLaGe

Alexandria ALEX

Alex-ID: agm003602292 · Space group: C2/m (#12)

Basic Information

Formula
SrLaGe
Alex-ID
agm003602292
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
203.46
ų
Cell a
4.5370
Å
Cell b
6.4288
Å
Cell c
7.8657
Å
α angle
76.78
°
β angle
73.23
°
γ angle
69.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrLaGe
Sr
2.00 · 33.3%
La
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1566
eV/atom
Formation energy
-0.4642
eV/atom
Corrected total energy
-25.2541
eV
Raw total energy
-25.2541
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.9674
Total magnetisation
1.6420
μB

Additional Information

Prototype ID

ABC_51_spg12

Decomposition

La4Ge3 Sr2Ge Sr

Computed at

2022-03-07 03:48:50.356988

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: agm003602292).

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 agm003602292
data_agm003602292
_cell_length_a     4.53701
_cell_length_b     6.42884
_cell_length_c     7.86565
_cell_angle_alpha  76.77573
_cell_angle_beta   73.22960
_cell_angle_gamma  69.33346
_cell_volume       203.45615
_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 0.88575 0.44201 0.66384 1.00000
  Sr2 Sr 0.25018 0.89941 0.47785 1.00000
  La1 La 0.65978 0.37094 0.18770 1.00000
  La2 La 0.47591 0.97051 0.95402 1.00000
  Ge1 Ge 0.95008 0.75449 0.22324 1.00000
  Ge2 Ge 0.18576 0.58704 0.91849 1.00000
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