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Ho2Mg13

Alexandria ALEX

Alex-ID: agm003286359 · Space group: R-3m (#166)

Basic Information

Formula
Ho2Mg13
Alex-ID
agm003286359
Elements
2
Sites
15
Space group
R-3m (#166)
Crystal system
trigonal
Volume
385.33
ų
Cell a
7.9698
Å
Cell b
7.9698
Å
Cell c
8.3810
Å
α angle
61.61
°
β angle
61.61
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Mg13
Ho
2.00 · 13.3%
Mg
13.00 · 86.7%

Energy & Stability

Energy above hull
0.1828
eV/atom
Formation energy
0.1448
eV/atom
Corrected total energy
-27.7142
eV
Raw total energy
-27.7142
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.2463
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B13_6_spg166

Decomposition

HoMg7 HoMg3

Computed at

2022-01-14 13:37:59.835591

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: agm003286359).

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 agm003286359
data_agm003286359
_cell_length_a     7.96981
_cell_length_b     7.96981
_cell_length_c     8.38105
_cell_angle_alpha  61.61027
_cell_angle_beta   61.61027
_cell_angle_gamma  59.99999
_cell_volume       385.32917
_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 0.34235 0.34235 0.97294 1.00000
  Ho2 Ho 0.65765 0.65765 0.02706 1.00000
  Mg1 Mg 0.50000 0.50000 0.50000 1.00000
  Mg2 Mg 0.34261 0.95525 0.35953 1.00000
  Mg3 Mg 0.34261 0.34261 0.35953 1.00000
  Mg4 Mg 0.95525 0.34261 0.35953 1.00000
  Mg5 Mg 0.04475 0.65739 0.64047 1.00000
  Mg6 Mg 0.65739 0.04475 0.64047 1.00000
  Mg7 Mg 0.65739 0.65739 0.64047 1.00000
  Mg8 Mg 0.18736 0.81714 0.80814 1.00000
  Mg9 Mg 0.18736 0.18736 0.80814 1.00000
  Mg10 Mg 0.81714 0.18736 0.80814 1.00000
  Mg11 Mg 0.18286 0.81264 0.19186 1.00000
  Mg12 Mg 0.81264 0.18286 0.19186 1.00000
  Mg13 Mg 0.81264 0.81264 0.19186 1.00000
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