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Tb2SnH2

Alexandria ALEX

Alex-ID: agm007302363 · Space group: C2/c (#15)

Basic Information

Formula
Tb2SnH2
Alex-ID
agm007302363
Elements
3
Sites
10
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
176.37
ų
Cell a
6.1262
Å
Cell b
6.1262
Å
Cell c
6.1637
Å
α angle
60.83
°
β angle
60.83
°
γ angle
75.76
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2SnH2
Tb
4.00 · 40.0%
Sn
2.00 · 20.0%
H
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7771
eV/atom
Corrected total energy
-47.2652
eV
Raw total energy
-47.2652
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0331
eV
DOS at Fermi level
1.7171
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_1135_spg72

Decomposition

Tb2SnH2

Computed at

2024-03-05 09:23:23.235728

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: agm007302363).

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 agm007302363
data_agm007302363
_cell_length_a     6.12616
_cell_length_b     6.12616
_cell_length_c     6.16367
_cell_angle_alpha  60.83371
_cell_angle_beta   60.83371
_cell_angle_gamma  75.76118
_cell_volume       176.37053
_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 0.82292 0.50154 0.31329 1.00000
  Tb2 Tb 0.50154 0.82292 0.81329 1.00000
  Tb3 Tb 0.49846 0.17708 0.18671 1.00000
  Tb4 Tb 0.17708 0.49846 0.68671 1.00000
  Sn1 Sn 0.01899 0.98101 0.25000 1.00000
  Sn2 Sn 0.98101 0.01899 0.75000 1.00000
  H1 H 0.49475 0.25793 0.51579 1.00000
  H2 H 0.25793 0.49475 0.01579 1.00000
  H3 H 0.50525 0.74207 0.48421 1.00000
  H4 H 0.74207 0.50525 0.98421 1.00000
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