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LaCeGe

Alexandria ALEX

Alex-ID: agm069947802 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
LaCeGe
Alex-ID
agm069947802
Elements
3
Sites
6
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
170.12
ų
Cell a
9.1030
Å
Cell b
9.1030
Å
Cell c
9.1030
Å
α angle
151.62
°
β angle
151.62
°
γ angle
40.58
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaCeGe
La
2.00 · 33.3%
Ce
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1649
eV/atom
Formation energy
-0.4896
eV/atom
Corrected total energy
-33.8948
eV
Raw total energy
-33.8948
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
15.4509
Total magnetisation
2.6916
μB

Additional Information

Prototype ID

ABC_506_spg12

Decomposition

LaCeGe

Computed at

2025-04-16 01:15:19

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: agm069947802).

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 agm069947802
data_agm069947802
_cell_length_a     9.10295
_cell_length_b     9.10295
_cell_length_c     9.10295
_cell_angle_alpha  151.61513
_cell_angle_beta   151.61513
_cell_angle_gamma  40.57561
_cell_volume       170.12192
_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 0.50000 0.00000 0.50000 1.00000
  La2 La 0.00000 0.50000 0.50000 1.00000
  Ce1 Ce 0.18417 0.18417 0.00000 1.00000
  Ce2 Ce 0.81583 0.81583 0.00000 1.00000
  Ge1 Ge 0.36226 0.36226 0.00000 1.00000
  Ge2 Ge 0.63774 0.63774 0.00000 1.00000
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