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Ho5Tm3Cd2

Alexandria ALEX

Alex-ID: agm003344155 · Space group: Ibam (#72)

Alexandria Database API

Basic Information

Formula
Ho5Tm3Cd2
Alex-ID
agm003344155
Elements
3
Sites
20
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
619.65
ų
Cell a
6.5600
Å
Cell b
10.2740
Å
Cell c
10.2740
Å
α angle
88.50
°
β angle
71.38
°
γ angle
71.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Tm3Cd2
Ho
10.00 · 50.0%
Tm
6.00 · 30.0%
Cd
4.00 · 20.0%

Energy & Stability

Energy above hull
0.3380
eV/atom
Formation energy
0.2044
eV/atom
Corrected total energy
-72.2215
eV
Raw total energy
-72.2215
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0125
eV
DOS at Fermi level
24.1346
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C5_99_spg72

Decomposition

Ho2Cd HoTm2 HoTm5

Computed at

2022-02-04 18:04:47.262606

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: agm003344155).

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 agm003344155
data_agm003344155
_cell_length_a     6.56004
_cell_length_b     10.27396
_cell_length_c     10.27396
_cell_angle_alpha  88.49925
_cell_angle_beta   71.38211
_cell_angle_gamma  71.38207
_cell_volume       619.64933
_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
  Ho1 Ho 0.25000 0.50000 0.50000 1.00000
  Ho2 Ho 0.75000 0.50000 0.50000 1.00000
  Ho3 Ho 0.51089 0.73911 0.73911 1.00000
  Ho4 Ho 0.98911 0.26089 0.26089 1.00000
  Ho5 Ho 0.48911 0.26089 0.26089 1.00000
  Ho6 Ho 0.01089 0.73911 0.73911 1.00000
  Ho7 Ho 0.09922 0.57440 0.22715 1.00000
  Ho8 Ho 0.90078 0.42560 0.77285 1.00000
  Ho9 Ho 0.59922 0.22715 0.57440 1.00000
  Ho10 Ho 0.40078 0.77285 0.42560 1.00000
  Tm1 Tm 0.25000 0.00000 0.00000 1.00000
  Tm2 Tm 0.75000 0.00000 0.00000 1.00000
  Tm3 Tm 0.36207 0.35070 0.92517 1.00000
  Tm4 Tm 0.63793 0.64930 0.07483 1.00000
  Tm5 Tm 0.86207 0.92517 0.35070 1.00000
  Tm6 Tm 0.13793 0.07483 0.64930 1.00000
  Cd1 Cd 0.13054 0.73695 0.00198 1.00000
  Cd2 Cd 0.86946 0.26305 0.99802 1.00000
  Cd3 Cd 0.63054 0.00198 0.73695 1.00000
  Cd4 Cd 0.36946 0.99802 0.26305 1.00000
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