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Ho4MnCd

Alexandria ALEX

Alex-ID: agm005804632 · Space group: C2/c (#15)

Basic Information

Formula
Ho4MnCd
Alex-ID
agm005804632
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
316.25
ų
Cell a
6.0078
Å
Cell b
7.6897
Å
Cell c
7.6897
Å
α angle
111.33
°
β angle
99.56
°
γ angle
99.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4MnCd
Ho
8.00 · 66.7%
Mn
2.00 · 16.7%
Cd
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0613
eV/atom
Formation energy
-0.0480
eV/atom
Corrected total energy
-57.3899
eV
Raw total energy
-57.3899
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
13.9518
Total magnetisation
0.9830
μB

Additional Information

Prototype ID

ABC4_180_spg2

Decomposition

Ho2Mn17 Ho2Cd Ho

Computed at

2023-07-30 09:02:26.428265

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: agm005804632).

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 agm005804632
data_agm005804632
_cell_length_a     6.00782
_cell_length_b     7.68974
_cell_length_c     7.68974
_cell_angle_alpha  111.32766
_cell_angle_beta   99.56089
_cell_angle_gamma  99.56090
_cell_volume       316.25265
_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 0.88687 0.63737 0.80012 1.00000
  Ho2 Ho 0.04588 0.93731 0.27127 1.00000
  Ho3 Ho 0.61313 0.19988 0.36263 1.00000
  Ho4 Ho 0.45412 0.72873 0.06270 1.00000
  Ho5 Ho 0.54588 0.27127 0.93730 1.00000
  Ho6 Ho 0.38687 0.80012 0.63737 1.00000
  Ho7 Ho 0.95412 0.06269 0.72873 1.00000
  Ho8 Ho 0.11313 0.36263 0.19988 1.00000
  Mn1 Mn 0.25000 0.99886 0.00114 1.00000
  Mn2 Mn 0.75000 0.00114 0.99886 1.00000
  Cd1 Cd 0.75000 0.62517 0.37483 1.00000
  Cd2 Cd 0.25000 0.37483 0.62517 1.00000
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