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Tb2YbTe4

Alexandria ALEX

Alex-ID: agm081504136 · Space group: P2/m (#10)

Basic Information

Formula
Tb2YbTe4
Alex-ID
agm081504136
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
242.40
ų
Cell a
7.5542
Å
Cell b
4.4008
Å
Cell c
7.6731
Å
α angle
90.00
°
β angle
108.15
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2YbTe4
Tb
2.00 · 28.6%
Yb
1.00 · 14.3%
Te
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0170
eV/atom
Formation energy
-1.4646
eV/atom
Corrected total energy
-33.6097
eV
Raw total energy
-33.6097
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0209
eV
DOS at Fermi level
17.3848
Total magnetisation
0.2572
μB

Additional Information

Prototype ID

AB2C4_74_spg44

Decomposition

Tb2Te3 YbTe

Computed at

2025-04-19 09:34:31

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: agm081504136).

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 agm081504136
data_agm081504136
_cell_length_a     7.55422
_cell_length_b     4.40080
_cell_length_c     7.67307
_cell_angle_alpha  90.00000
_cell_angle_beta   108.15063
_cell_angle_gamma  90.00000
_cell_volume       242.39537
_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
  Tb1 Tb 0.00000 0.00000 0.00000 1.00000
  Tb2 Tb 0.50000 0.50000 0.00000 1.00000
  Yb1 Yb 0.50000 0.00000 0.50000 1.00000
  Te1 Te 0.75822 0.50000 0.74957 1.00000
  Te2 Te 0.24178 0.50000 0.25043 1.00000
  Te3 Te 0.74782 0.00000 0.24271 1.00000
  Te4 Te 0.25218 0.00000 0.75729 1.00000
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