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Tb8Zn2Ag

Alexandria ALEX

Alex-ID: agm003530002 · Space group: C2/m (#12)

Basic Information

Formula
Tb8Zn2Ag
Alex-ID
agm003530002
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
303.86
ų
Cell a
5.1032
Å
Cell b
6.9486
Å
Cell c
9.2849
Å
α angle
105.64
°
β angle
105.95
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Zn2Ag
Tb
8.00 · 72.7%
Zn
2.00 · 18.2%
Ag
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0558
eV/atom
Formation energy
-0.1271
eV/atom
Corrected total energy
-43.8645
eV
Raw total energy
-43.8645
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.3127
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Tb3Zn2Ag Tb

Computed at

2022-03-18 15:39:54.670964

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: agm003530002).

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 agm003530002
data_agm003530002
_cell_length_a     5.10319
_cell_length_b     6.94858
_cell_length_c     9.28493
_cell_angle_alpha  105.64407
_cell_angle_beta   105.95073
_cell_angle_gamma  90.00000
_cell_volume       303.86199
_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 0.40819 0.53925 0.81638 1.00000
  Tb2 Tb 0.66712 0.96924 0.33424 1.00000
  Tb3 Tb 0.80204 0.68386 0.60409 1.00000
  Tb4 Tb 0.97130 0.22972 0.94261 1.00000
  Tb5 Tb 0.19796 0.31614 0.39591 1.00000
  Tb6 Tb 0.33288 0.03076 0.66576 1.00000
  Tb7 Tb 0.59181 0.46075 0.18362 1.00000
  Tb8 Tb 0.02870 0.77028 0.05739 1.00000
  Zn1 Zn 0.81306 0.27915 0.62612 1.00000
  Zn2 Zn 0.18694 0.72085 0.37388 1.00000
  Ag1 Ag 0.50000 0.00000 0.00000 1.00000
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