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HoMn4Cd

Alexandria ALEX

Alex-ID: agm002345342 · Space group: R3m (#160)

Basic Information

Formula
HoMn4Cd
Alex-ID
agm002345342
Elements
3
Sites
6
Space group
R3m (#160)
Crystal system
trigonal
Volume
96.16
ų
Cell a
5.0625
Å
Cell b
5.2266
Å
Cell c
5.2267
Å
α angle
59.99
°
β angle
58.93
°
γ angle
58.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoMn4Cd
Mn
4.00 · 66.7%
Ho
1.00 · 16.7%
Cd
1.00 · 16.7%

Energy & Stability

Energy above hull
0.2304
eV/atom
Formation energy
0.1266
eV/atom
Corrected total energy
-41.4205
eV
Raw total energy
-41.4205
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
6.9866
Total magnetisation
4.9999
μB

Additional Information

Prototype ID

ABC4_12_spg216

Decomposition

Mn HoCd

Computed at

2019-02-04 16:11:59

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: agm002345342).

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 agm002345342
data_agm002345342
_cell_length_a     5.06252
_cell_length_b     5.22665
_cell_length_c     5.22665
_cell_angle_alpha  59.98521
_cell_angle_beta   58.92687
_cell_angle_gamma  58.92682
_cell_volume       96.16419
_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
  Mn1 Mn 0.12375 0.62542 0.62543 1.00000
  Mn2 Mn 0.62532 0.62384 0.12685 1.00000
  Mn3 Mn 0.62531 0.12686 0.62384 1.00000
  Mn4 Mn 0.62508 0.62397 0.62397 1.00000
  Ho1 Ho 0.00208 0.99933 0.99934 1.00000
  Cd1 Cd 0.24847 0.25057 0.25057 1.00000
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