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Ho3(Cd2Ag)2

Alexandria ALEX

Alex-ID: agm005602186 · Space group: C2/m (#12)

Basic Information

Formula
Ho3(Cd2Ag)2
Alex-ID
agm005602186
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
209.07
ų
Cell a
4.9365
Å
Cell b
5.9691
Å
Cell c
9.1240
Å
α angle
118.27
°
β angle
90.00
°
γ angle
114.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(Cd2Ag)2
Ho
3.00 · 33.3%
Cd
4.00 · 44.4%
Ag
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0247
eV/atom
Formation energy
-0.2875
eV/atom
Corrected total energy
-25.7200
eV
Raw total energy
-25.7200
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.1703
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A2B3C4_664_spg12

Decomposition

HoCdAg HoCd2

Computed at

2023-06-26 15:42:25.988211

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: agm005602186).

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 agm005602186
data_agm005602186
_cell_length_a     4.93651
_cell_length_b     5.96905
_cell_length_c     9.12399
_cell_angle_alpha  118.26614
_cell_angle_beta   90.00000
_cell_angle_gamma  114.42546
_cell_volume       209.07194
_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 0.66898 0.33796 0.66288 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.33102 0.66204 0.33712 1.00000
  Cd1 Cd 0.71669 0.43338 0.05292 1.00000
  Cd2 Cd 0.28331 0.56662 0.94708 1.00000
  Cd3 Cd 0.94519 0.89038 0.61336 1.00000
  Cd4 Cd 0.05481 0.10962 0.38664 1.00000
  Ag1 Ag 0.60801 0.21601 0.27568 1.00000
  Ag2 Ag 0.39199 0.78399 0.72432 1.00000
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