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Ho3Mg2Co

Alexandria ALEX

Alex-ID: agm034118174 · Space group: Cmmm (#65)

Basic Information

Formula
Ho3Mg2Co
Alex-ID
agm034118174
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
144.47
ų
Cell a
8.3013
Å
Cell b
8.3013
Å
Cell c
3.4737
Å
α angle
90.00
°
β angle
90.00
°
γ angle
142.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Mg2Co
Ho
3.00 · 50.0%
Mg
2.00 · 33.3%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0239
eV/atom
Formation energy
-0.1227
eV/atom
Corrected total energy
-24.7850
eV
Raw total energy
-24.7850
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0110
eV
DOS at Fermi level
4.9263
Total magnetisation
-0.0003
μB

Additional Information

Prototype ID

AB2C3_871_spg71

Decomposition

Ho4Mg3Co2 HoMg3 Ho4MgCo

Computed at

2025-04-15 06:41:42

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: agm034118174).

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 agm034118174
data_agm034118174
_cell_length_a     8.30131
_cell_length_b     8.30131
_cell_length_c     3.47372
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  142.87655
_cell_volume       144.47394
_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 0.00000 0.00000 0.50000 1.00000
  Ho2 Ho 0.63051 0.36949 0.50000 1.00000
  Ho3 Ho 0.36949 0.63051 0.50000 1.00000
  Mg1 Mg 0.18638 0.81362 0.00000 1.00000
  Mg2 Mg 0.81362 0.18638 0.00000 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
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