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Tb3(Ag2Pb)2

Alexandria ALEX

Alex-ID: agm005608566 · Space group: C2/m (#12)

Basic Information

Formula
Tb3(Ag2Pb)2
Alex-ID
agm005608566
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
219.31
ų
Cell a
4.7788
Å
Cell b
6.0433
Å
Cell c
9.2822
Å
α angle
114.68
°
β angle
90.00
°
γ angle
113.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3(Ag2Pb)2
Tb
3.00 · 33.3%
Ag
4.00 · 44.4%
Pb
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0489
eV/atom
Formation energy
-0.3285
eV/atom
Corrected total energy
-35.6753
eV
Raw total energy
-35.6753
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.7712
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_272_spg12

Decomposition

TbAg2 TbAgPb

Computed at

2023-06-26 16:35:55.691603

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: agm005608566).

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 agm005608566
data_agm005608566
_cell_length_a     4.77877
_cell_length_b     6.04328
_cell_length_c     9.28223
_cell_angle_alpha  114.67944
_cell_angle_beta   90.00001
_cell_angle_gamma  113.28961
_cell_volume       219.31195
_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 0.65877 0.31754 0.67810 1.00000
  Tb2 Tb 0.00000 0.00000 0.00000 1.00000
  Tb3 Tb 0.34123 0.68246 0.32190 1.00000
  Ag1 Ag 0.70882 0.41764 0.03495 1.00000
  Ag2 Ag 0.29118 0.58236 0.96505 1.00000
  Ag3 Ag 0.91715 0.83429 0.57455 1.00000
  Ag4 Ag 0.08285 0.16571 0.42545 1.00000
  Pb1 Pb 0.61557 0.23115 0.27661 1.00000
  Pb2 Pb 0.38443 0.76885 0.72339 1.00000
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