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Ho3MgCo

Alexandria ALEX

Alex-ID: agm005776147 · Space group: C2/m (#12)

Basic Information

Formula
Ho3MgCo
Alex-ID
agm005776147
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
252.42
ų
Cell a
3.5175
Å
Cell b
6.4765
Å
Cell c
11.6899
Å
α angle
99.61
°
β angle
90.00
°
γ angle
105.76
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3MgCo
Ho
6.00 · 60.0%
Mg
2.00 · 20.0%
Co
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0366
eV/atom
Formation energy
-0.1261
eV/atom
Corrected total energy
-46.1687
eV
Raw total energy
-46.1687
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0185
eV
DOS at Fermi level
8.8315
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_7244_spg12

Decomposition

Ho4Mg3Co2 Ho5Co2 Ho4MgCo

Computed at

2023-07-04 17:02:19.498700

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: agm005776147).

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 agm005776147
data_agm005776147
_cell_length_a     3.51747
_cell_length_b     6.47648
_cell_length_c     11.68990
_cell_angle_alpha  99.60570
_cell_angle_beta   90.00000
_cell_angle_gamma  105.75692
_cell_volume       252.41677
_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 0.11438 0.22875 0.44193 1.00000
  Ho2 Ho 0.88562 0.77125 0.55807 1.00000
  Ho3 Ho 0.50579 0.01159 0.18236 1.00000
  Ho4 Ho 0.49421 0.98841 0.81764 1.00000
  Ho5 Ho 0.20753 0.41507 0.73648 1.00000
  Ho6 Ho 0.79247 0.58493 0.26352 1.00000
  Mg1 Mg 0.84541 0.69083 0.97548 1.00000
  Mg2 Mg 0.15459 0.30917 0.02452 1.00000
  Co1 Co 0.56290 0.12579 0.61512 1.00000
  Co2 Co 0.43710 0.87421 0.38488 1.00000
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