Navigation

HEAS Data Platform · Materials Science Database

Sr(TbTe2)2

Alexandria ALEX

Alex-ID: agm014485271 · Space group: P2/m (#10)

Basic Information

Formula
Sr(TbTe2)2
Alex-ID
agm014485271
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
262.84
ų
Cell a
7.5935
Å
Cell b
4.4748
Å
Cell c
8.1105
Å
α angle
90.00
°
β angle
107.49
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr(TbTe2)2
Sr
1.00 · 14.3%
Tb
2.00 · 28.6%
Te
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0100
eV/atom
Formation energy
-1.5028
eV/atom
Corrected total energy
-34.0403
eV
Raw total energy
-34.0403
eV

Electronic Structure

Indirect band gap
0.6721
eV
Direct band gap
0.6721
eV
DOS at Fermi level
-0.0199
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_285_spg6

Decomposition

Tb2Te3 SrTe

Computed at

2025-04-19 07:44:49

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: agm014485271).

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 agm014485271
data_agm014485271
_cell_length_a     7.59352
_cell_length_b     4.47478
_cell_length_c     8.11047
_cell_angle_alpha  90.00000
_cell_angle_beta   107.49435
_cell_angle_gamma  90.00000
_cell_volume       262.84102
_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
  Sr1 Sr 0.00000 0.00000 0.50000 1.00000
  Tb1 Tb 0.50000 0.00000 0.00000 1.00000
  Tb2 Tb 0.00000 0.50000 0.00000 1.00000
  Te1 Te 0.73538 0.50000 0.23247 1.00000
  Te2 Te 0.24256 0.00000 0.22550 1.00000
  Te3 Te 0.26462 0.50000 0.76753 1.00000
  Te4 Te 0.75744 0.00000 0.77450 1.00000
Get direct link