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Tb2Zn2Ag3

Alexandria ALEX

Alex-ID: agm003307166 · Space group: Cmmm (#65)

Basic Information

Formula
Tb2Zn2Ag3
Alex-ID
agm003307166
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
146.50
ų
Cell a
3.5531
Å
Cell b
4.2464
Å
Cell c
9.9395
Å
α angle
102.33
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Zn2Ag3
Tb
2.00 · 28.6%
Zn
2.00 · 28.6%
Ag
3.00 · 42.9%

Energy & Stability

Energy above hull
0.1047
eV/atom
Formation energy
-0.2186
eV/atom
Corrected total energy
-21.9048
eV
Raw total energy
-21.9048
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.1990
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_164_spg65

Decomposition

TbZn2 Tb2Zn3Ag4 TbAg2

Computed at

2022-02-04 01:09:54.858852

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: agm003307166).

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 agm003307166
data_agm003307166
_cell_length_a     3.55309
_cell_length_b     4.24640
_cell_length_c     9.93954
_cell_angle_alpha  102.33409
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       146.50463
_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 0.84464 0.68928 1.00000
  Tb2 Tb 0.00000 0.15536 0.31072 1.00000
  Zn1 Zn 0.50000 0.71523 0.43046 1.00000
  Zn2 Zn 0.50000 0.28477 0.56954 1.00000
  Ag1 Ag 0.50000 0.57168 0.14336 1.00000
  Ag2 Ag 0.50000 0.42832 0.85664 1.00000
  Ag3 Ag 0.00000 0.00000 0.00000 1.00000
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