Navigation

HEAS Data Platform · Materials Science Database

Ho(CdAg4)2

Alexandria ALEX

Alex-ID: agm005968321 · Space group: C2/m (#12)

Basic Information

Formula
Ho(CdAg4)2
Alex-ID
agm005968321
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
211.72
ų
Cell a
4.3755
Å
Cell b
6.7251
Å
Cell c
7.8364
Å
α angle
106.33
°
β angle
106.21
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(CdAg4)2
Ho
1.00 · 9.1%
Cd
2.00 · 18.2%
Ag
8.00 · 72.7%

Energy & Stability

Energy above hull
0.0281
eV/atom
Formation energy
-0.0968
eV/atom
Corrected total energy
-30.3009
eV
Raw total energy
-30.3009
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.4069
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_278_spg12

Decomposition

Ho14Ag51 CdAg3 HoCdAg2

Computed at

2023-09-24 10:00:04

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: agm005968321).

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 agm005968321
data_agm005968321
_cell_length_a     4.37552
_cell_length_b     6.72513
_cell_length_c     7.83635
_cell_angle_alpha  106.33208
_cell_angle_beta   106.21132
_cell_angle_gamma  90.00000
_cell_volume       211.71593
_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 0.50000 0.00000 0.00000 1.00000
  Cd1 Cd 0.22792 0.64458 0.45584 1.00000
  Cd2 Cd 0.77208 0.35542 0.54416 1.00000
  Ag1 Ag 0.59248 0.46639 0.18496 1.00000
  Ag2 Ag 0.31517 0.08762 0.63034 1.00000
  Ag3 Ag 0.13726 0.19083 0.27452 1.00000
  Ag4 Ag 0.04561 0.72377 0.09123 1.00000
  Ag5 Ag 0.86274 0.80917 0.72548 1.00000
  Ag6 Ag 0.68483 0.91238 0.36966 1.00000
  Ag7 Ag 0.40752 0.53361 0.81504 1.00000
  Ag8 Ag 0.95439 0.27623 0.90877 1.00000
Get direct link