Navigation

HEAS Data Platform · Materials Science Database

Ho4Mg5Cd

Alexandria ALEX

Alex-ID: agm006114626 · Space group: C2/m (#12)

Basic Information

Formula
Ho4Mg5Cd
Alex-ID
agm006114626
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
258.67
ų
Cell a
5.2373
Å
Cell b
6.5323
Å
Cell c
8.2746
Å
α angle
104.76
°
β angle
108.45
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4Mg5Cd
Ho
4.00 · 40.0%
Mg
5.00 · 50.0%
Cd
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0123
eV/atom
Formation energy
-0.1089
eV/atom
Corrected total energy
-28.2999
eV
Raw total energy
-28.2999
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0062
eV
DOS at Fermi level
8.4163
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_203_spg12

Decomposition

HoMg3 Ho3MgCd2 HoMg

Computed at

2023-10-11 10:00:58

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: agm006114626).

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 agm006114626
data_agm006114626
_cell_length_a     5.23727
_cell_length_b     6.53228
_cell_length_c     8.27460
_cell_angle_alpha  104.75679
_cell_angle_beta   108.44937
_cell_angle_gamma  90.00000
_cell_volume       258.67350
_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 0.69499 0.30406 0.38998 1.00000
  Ho2 Ho 0.09932 0.90080 0.19865 1.00000
  Ho3 Ho 0.30501 0.69594 0.61002 1.00000
  Ho4 Ho 0.90068 0.09920 0.80135 1.00000
  Mg1 Mg 0.30264 0.20205 0.60527 1.00000
  Mg2 Mg 0.09753 0.41490 0.19506 1.00000
  Mg3 Mg 0.90247 0.58510 0.80494 1.00000
  Mg4 Mg 0.50000 0.50000 0.00000 1.00000
  Mg5 Mg 0.69736 0.79795 0.39473 1.00000
  Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Get direct link