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Tm5Cd2Co2Ag

Alexandria ALEX

Alex-ID: agm005136263 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Tm5Cd2Co2Ag
Alex-ID
agm005136263
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
454.96
ų
Cell a
3.5327
Å
Cell b
11.3483
Å
Cell c
11.3483
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm5Cd2Co2Ag
Tm
10.00 · 50.0%
Cd
4.00 · 20.0%
Co
4.00 · 20.0%
Ag
2.00 · 10.0%

Energy & Stability

Energy above hull
0.0552
eV/atom
Formation energy
-0.2519
eV/atom
Corrected total energy
-87.6449
eV
Raw total energy
-87.6449
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.6457
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C2D5_49_spg127

Decomposition

TmCo Tm9Cd5Co4 TmAg

Computed at

2022-07-14 17:18:29.532476

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: agm005136263).

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 agm005136263
data_agm005136263
_cell_length_a     3.53270
_cell_length_b     11.34833
_cell_length_c     11.34833
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       454.95706
_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 0.50000 0.20889 0.07612 1.00000
  Tm2 Tm 0.50000 0.79111 0.92388 1.00000
  Tm3 Tm 0.50000 0.07612 0.79111 1.00000
  Tm4 Tm 0.50000 0.70889 0.42388 1.00000
  Tm5 Tm 0.50000 0.92388 0.20889 1.00000
  Tm6 Tm 0.50000 0.29111 0.57612 1.00000
  Tm7 Tm 0.50000 0.57612 0.70889 1.00000
  Tm8 Tm 0.50000 0.42388 0.29111 1.00000
  Tm9 Tm 0.50000 0.50000 0.00000 1.00000
  Tm10 Tm 0.50000 0.00000 0.50000 1.00000
  Cd1 Cd 0.00000 0.67433 0.17433 1.00000
  Cd2 Cd 0.00000 0.32567 0.82567 1.00000
  Cd3 Cd 0.00000 0.17433 0.32567 1.00000
  Cd4 Cd 0.00000 0.82567 0.67433 1.00000
  Co1 Co 0.00000 0.12781 0.62781 1.00000
  Co2 Co 0.00000 0.87219 0.37219 1.00000
  Co3 Co 0.00000 0.62781 0.87219 1.00000
  Co4 Co 0.00000 0.37219 0.12781 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.00000 0.50000 0.50000 1.00000
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