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Tm5Ga4(CuSn2)2

Alexandria ALEX

Alex-ID: agm009590318 · Space group: Amm2 (#38)

Basic Information

Formula
Tm5Ga4(CuSn2)2
Alex-ID
agm009590318
Elements
4
Sites
15
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
331.10
ų
Cell a
20.7555
Å
Cell b
20.7555
Å
Cell c
3.6156
Å
α angle
90.00
°
β angle
90.00
°
γ angle
167.73
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm5Ga4(CuSn2)2
Tm
5.00 · 33.3%
Ga
4.00 · 26.7%
Cu
2.00 · 13.3%
Sn
4.00 · 26.7%

Energy & Stability

Energy above hull
0.1265
eV/atom
Formation energy
-0.4487
eV/atom
Corrected total energy
-65.5368
eV
Raw total energy
-65.5368
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.1255
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C4D5_0_spg38

Decomposition

TmCuSn TmGa2 TmSn2

Computed at

2024-03-25 08:02:06.651257

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: agm009590318).

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 agm009590318
data_agm009590318
_cell_length_a     20.75545
_cell_length_b     20.75545
_cell_length_c     3.61555
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  167.72635
_cell_volume       331.10336
_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
  Tm1 Tm 0.00920 0.99080 0.50000 1.00000
  Tm2 Tm 0.59743 0.40257 0.50000 1.00000
  Tm3 Tm 0.19125 0.80875 0.50000 1.00000
  Tm4 Tm 0.79223 0.20777 0.50000 1.00000
  Tm5 Tm 0.40425 0.59575 0.50000 1.00000
  Ga1 Ga 0.26224 0.73776 0.00000 1.00000
  Ga2 Ga 0.87242 0.12758 0.00000 1.00000
  Ga3 Ga 0.47912 0.52088 0.00000 1.00000
  Ga4 Ga 0.54002 0.45998 0.00000 1.00000
  Cu1 Cu 0.06588 0.93412 0.00000 1.00000
  Cu2 Cu 0.66076 0.33924 0.00000 1.00000
  Sn1 Sn 0.12898 0.87102 0.00000 1.00000
  Sn2 Sn 0.72386 0.27614 0.00000 1.00000
  Sn3 Sn 0.33148 0.66852 0.00000 1.00000
  Sn4 Sn 0.94138 0.05862 0.00000 1.00000
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