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Ho11Mg9Cu4

Alexandria ALEX

Alex-ID: agm030935537 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Ho11Mg9Cu4
Alex-ID
agm030935537
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
591.62
ų
Cell a
13.3429
Å
Cell b
13.3429
Å
Cell c
3.6084
Å
α angle
90.00
°
β angle
90.00
°
γ angle
112.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho11Mg9Cu4
Ho
11.00 · 45.8%
Mg
9.00 · 37.5%
Cu
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0047
eV/atom
Formation energy
-0.1334
eV/atom
Corrected total energy
-84.5561
eV
Raw total energy
-84.5561
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0008
eV
DOS at Fermi level
24.0759
Total magnetisation
0.0842
μB

Additional Information

Prototype ID

A4B9C11_0_spg65

Decomposition

Ho2MgCu2 HoMg

Computed at

2024-08-24 23:44:17.034998

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: agm030935537).

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 agm030935537
data_agm030935537
_cell_length_a     13.34295
_cell_length_b     13.34295
_cell_length_c     3.60835
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  112.93590
_cell_volume       591.62228
_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 0.41701 0.07963 0.50000 1.00000
  Ho2 Ho 0.58299 0.92037 0.50000 1.00000
  Ho3 Ho 0.07963 0.41701 0.50000 1.00000
  Ho4 Ho 0.92037 0.58299 0.50000 1.00000
  Ho5 Ho 0.37059 0.62941 0.50000 1.00000
  Ho6 Ho 0.62941 0.37059 0.50000 1.00000
  Ho7 Ho 0.15594 0.84406 0.50000 1.00000
  Ho8 Ho 0.84406 0.15594 0.50000 1.00000
  Ho9 Ho 0.00000 0.00000 0.50000 1.00000
  Ho10 Ho 0.30812 0.30812 0.50000 1.00000
  Ho11 Ho 0.69188 0.69188 0.50000 1.00000
  Mg1 Mg 0.36439 0.84662 0.00000 1.00000
  Mg2 Mg 0.63561 0.15338 0.00000 1.00000
  Mg3 Mg 0.84662 0.36439 0.00000 1.00000
  Mg4 Mg 0.15338 0.63561 0.00000 1.00000
  Mg5 Mg 0.21766 0.07554 0.00000 1.00000
  Mg6 Mg 0.78234 0.92446 0.00000 1.00000
  Mg7 Mg 0.07554 0.21766 0.00000 1.00000
  Mg8 Mg 0.92446 0.78234 0.00000 1.00000
  Mg9 Mg 0.50000 0.50000 0.00000 1.00000
  Cu1 Cu 0.45098 0.25371 0.00000 1.00000
  Cu2 Cu 0.54902 0.74629 0.00000 1.00000
  Cu3 Cu 0.25371 0.45098 0.00000 1.00000
  Cu4 Cu 0.74629 0.54902 0.00000 1.00000
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