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Tb4In5Ag2

Alexandria ALEX

Alex-ID: agm005658670 · Space group: P2/m (#10)

Basic Information

Formula
Tb4In5Ag2
Alex-ID
agm005658670
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
278.81
ų
Cell a
3.5384
Å
Cell b
7.8065
Å
Cell c
10.1230
Å
α angle
94.38
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4In5Ag2
Tb
4.00 · 36.4%
In
5.00 · 45.5%
Ag
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0604
eV/atom
Formation energy
-0.3730
eV/atom
Corrected total energy
-42.1834
eV
Raw total energy
-42.1834
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4277
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_19_spg10

Decomposition

Tb3In5 TbInAg TbIn

Computed at

2023-06-21 09:31:56.535793

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: agm005658670).

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 agm005658670
data_agm005658670
_cell_length_a     3.53844
_cell_length_b     7.80646
_cell_length_c     10.12298
_cell_angle_alpha  94.38486
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       278.80544
_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 0.50000 0.73796 0.55846 1.00000
  Tb2 Tb 0.50000 0.17195 0.88003 1.00000
  Tb3 Tb 0.50000 0.26204 0.44154 1.00000
  Tb4 Tb 0.50000 0.82805 0.11997 1.00000
  In1 In 0.00000 0.55808 0.30473 1.00000
  In2 In 0.00000 0.18439 0.16142 1.00000
  In3 In 0.00000 0.50000 0.00000 1.00000
  In4 In 0.00000 0.81561 0.83858 1.00000
  In5 In 0.00000 0.44192 0.69527 1.00000
  Ag1 Ag 0.00000 0.06444 0.63463 1.00000
  Ag2 Ag 0.00000 0.93556 0.36537 1.00000
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