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Al4GaTe8

Alexandria ALEX

Alex-ID: agm097582008 · Space group: P1 (#1)

Basic Information

Formula
Al4GaTe8
Alex-ID
agm097582008
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
435.57
ų
Cell a
4.1076
Å
Cell b
10.9005
Å
Cell c
10.6212
Å
α angle
66.64
°
β angle
89.47
°
γ angle
93.34
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Al4GaTe8
Al
4.00 · 30.8%
Ga
1.00 · 7.7%
Te
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1359
eV/atom
Formation energy
-0.2743
eV/atom
Corrected total energy
-46.7112
eV
Raw total energy
-46.7112
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.4153
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1604_spg8

Decomposition

Ga2Te3 Ga2Te5 Al2Te3

Computed at

2025-06-02 05:43:17

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: agm097582008).

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 agm097582008
data_agm097582008
_cell_length_a     4.10755
_cell_length_b     10.90049
_cell_length_c     10.62122
_cell_angle_alpha  66.64130
_cell_angle_beta   89.46919
_cell_angle_gamma  93.34145
_cell_volume       435.56716
_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
  Al1 Al 0.23382 0.02282 0.23394 1.00000
  Al2 Al 0.10464 0.48174 0.82502 1.00000
  Al3 Al 0.18256 0.60012 0.38047 1.00000
  Al4 Al 0.69563 0.82856 0.64465 1.00000
  Ga1 Ga 0.70558 0.86731 0.92491 1.00000
  Te1 Te 0.35323 0.27654 0.05518 1.00000
  Te2 Te 0.20322 0.82372 0.14868 1.00000
  Te3 Te 0.17462 0.69400 0.57552 1.00000
  Te4 Te 0.22240 0.97637 0.71545 1.00000
  Te5 Te 0.73546 0.04382 0.38354 1.00000
  Te6 Te 0.65758 0.43833 0.42579 1.00000
  Te7 Te 0.58413 0.33105 0.77712 1.00000
  Te8 Te 0.64713 0.61564 0.90972 1.00000
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