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Tb2Ga2Ag3

Alexandria ALEX

Alex-ID: agm009368933 · Space group: C2/m (#12)

Basic Information

Formula
Tb2Ga2Ag3
Alex-ID
agm009368933
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
145.96
ų
Cell a
5.6118
Å
Cell b
5.6118
Å
Cell c
7.1166
Å
α angle
69.23
°
β angle
110.77
°
γ angle
135.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Ga2Ag3
Tb
2.00 · 28.6%
Ga
2.00 · 28.6%
Ag
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0387
eV/atom
Formation energy
-0.4022
eV/atom
Corrected total energy
-26.6927
eV
Raw total energy
-26.6927
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.8848
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_21_spg12

Decomposition

TbGa2Ag TbGaAg Tb14Ag51

Computed at

2025-06-22 12:31:59

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: agm009368933).

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 agm009368933
data_agm009368933
_cell_length_a     5.61176
_cell_length_b     5.61176
_cell_length_c     7.11661
_cell_angle_alpha  69.23450
_cell_angle_beta   110.76550
_cell_angle_gamma  135.15384
_cell_volume       145.96054
_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 0.13897 0.86103 0.76908 1.00000
  Tb2 Tb 0.86103 0.13897 0.23092 1.00000
  Ga1 Ga 0.15185 0.84815 0.20625 1.00000
  Ga2 Ga 0.84815 0.15185 0.79375 1.00000
  Ag1 Ag 0.50000 0.50000 0.00000 1.00000
  Ag2 Ag 0.38216 0.61784 0.56568 1.00000
  Ag3 Ag 0.61784 0.38216 0.43432 1.00000
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