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Te8Os

Alexandria ALEX

Alex-ID: agm005502824 · Space group: I4/mmm (#139)

Basic Information

Formula
Te8Os
Alex-ID
agm005502824
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
284.69
ų
Cell a
7.9208
Å
Cell b
7.9208
Å
Cell c
7.9208
Å
α angle
95.83
°
β angle
95.83
°
γ angle
142.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Te8Os
Te
8.00 · 88.9%
Os
1.00 · 11.1%

Energy & Stability

Energy above hull
0.4896
eV/atom
Formation energy
0.4623
eV/atom
Corrected total energy
-32.2028
eV
Raw total energy
-32.2028
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0581
eV
DOS at Fermi level
3.6503
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB8_5_spg139

Decomposition

Te2Os Te

Computed at

2023-03-19 15:50:35.300721

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: agm005502824).

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 agm005502824
data_agm005502824
_cell_length_a     7.92084
_cell_length_b     7.92084
_cell_length_c     7.92084
_cell_angle_alpha  95.83497
_cell_angle_beta   95.83497
_cell_angle_gamma  142.81356
_cell_volume       284.68565
_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
  Te1 Te 0.35546 0.64454 0.00000 1.00000
  Te2 Te 0.64454 0.35546 0.00000 1.00000
  Te3 Te 0.00000 0.25678 0.25678 1.00000
  Te4 Te 0.64454 0.64454 0.28908 1.00000
  Te5 Te 0.25678 0.00000 0.25678 1.00000
  Te6 Te 0.35546 0.35546 0.71092 1.00000
  Te7 Te 0.00000 0.74322 0.74322 1.00000
  Te8 Te 0.74322 0.00000 0.74322 1.00000
  Os1 Os 0.00000 0.00000 0.00000 1.00000
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