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LaAlZn2Ge

Alexandria ALEX

Alex-ID: agm045667704 · Space group: Imm2 (#44)

Basic Information

Formula
LaAlZn2Ge
Alex-ID
agm045667704
Elements
4
Sites
5
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
99.73
ų
Cell a
4.2823
Å
Cell b
4.2875
Å
Cell c
6.2259
Å
α angle
110.25
°
β angle
110.20
°
γ angle
89.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaAlZn2Ge
La
1.00 · 20.0%
Al
1.00 · 20.0%
Zn
2.00 · 40.0%
Ge
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0025
eV/atom
Formation energy
-0.4695
eV/atom
Corrected total energy
-18.1942
eV
Raw total energy
-18.1942
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0250
eV
DOS at Fermi level
1.7968
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_145_spg1

Decomposition

La(AlZn)2 La2Al3Ge4 La2(Zn2Ge)3 LaAlGe

Computed at

2025-04-13 21:08:17

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: agm045667704).

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 agm045667704
data_agm045667704
_cell_length_a     4.28227
_cell_length_b     4.28750
_cell_length_c     6.22587
_cell_angle_alpha  110.24849
_cell_angle_beta   110.19992
_cell_angle_gamma  89.93896
_cell_volume       99.73326
_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 0.43794 0.43833 0.87532 1.00000
  Al1 Al 0.18956 0.68864 0.37942 1.00000
  Zn1 Zn 0.68730 0.18795 0.37399 1.00000
  Zn2 Zn 0.06368 0.06188 0.12703 1.00000
  Ge1 Ge 0.83365 0.83534 0.66853 1.00000
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