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Tm8Cd4Os3Au

Alexandria ALEX

Alex-ID: agm044093063 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Tm8Cd4Os3Au
Alex-ID
agm044093063
Elements
4
Sites
16
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
360.38
ų
Cell a
6.9210
Å
Cell b
6.9201
Å
Cell c
7.5246
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8Cd4Os3Au
Tm
8.00 · 50.0%
Cd
4.00 · 25.0%
Os
3.00 · 18.8%
Au
1.00 · 6.3%

Energy & Stability

Energy above hull
0.0030
eV/atom
Formation energy
-0.4283
eV/atom
Corrected total energy
-83.2857
eV
Raw total energy
-83.2857
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.6407
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4D8_71_spg123

Decomposition

Tm4Cd3Os Tm2CdOs TmAu

Computed at

2025-03-02 07:50:42

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: agm044093063).

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 agm044093063
data_agm044093063
_cell_length_a     6.92095
_cell_length_b     6.92007
_cell_length_c     7.52462
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       360.37987
_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 0.24485 0.25516 0.28137 1.00000
  Tm2 Tm 0.24485 0.74484 0.28137 1.00000
  Tm3 Tm 0.24485 0.74484 0.71863 1.00000
  Tm4 Tm 0.75515 0.74484 0.28137 1.00000
  Tm5 Tm 0.24485 0.25516 0.71863 1.00000
  Tm6 Tm 0.75515 0.25516 0.28137 1.00000
  Tm7 Tm 0.75515 0.25516 0.71863 1.00000
  Tm8 Tm 0.75515 0.74484 0.71863 1.00000
  Cd1 Cd 0.00000 0.50000 0.00000 1.00000
  Cd2 Cd 0.00000 0.00000 0.00000 1.00000
  Cd3 Cd 0.50000 0.00000 0.00000 1.00000
  Cd4 Cd 0.50000 0.50000 0.00000 1.00000
  Os1 Os 0.00000 0.50000 0.50000 1.00000
  Os2 Os 0.00000 0.00000 0.50000 1.00000
  Os3 Os 0.50000 0.50000 0.50000 1.00000
  Au1 Au 0.50000 0.00000 0.50000 1.00000
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