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Ho12Mg2In5

Alexandria ALEX

Alex-ID: agm003371663 · Space group: C2/m (#12)

Basic Information

Formula
Ho12Mg2In5
Alex-ID
agm003371663
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
542.69
ų
Cell a
9.5776
Å
Cell b
8.2417
Å
Cell c
8.4834
Å
α angle
85.71
°
β angle
90.00
°
γ angle
125.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho12Mg2In5
Ho
12.00 · 63.2%
Mg
2.00 · 10.5%
In
5.00 · 26.3%

Energy & Stability

Energy above hull
0.1595
eV/atom
Formation energy
-0.1320
eV/atom
Corrected total energy
-74.4877
eV
Raw total energy
-74.4877
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.4475
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A2B5C12_35_spg12

Decomposition

Ho2Mg Ho2In Ho2MgIn

Computed at

2022-02-07 03:53:27.516392

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: agm003371663).

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 agm003371663
data_agm003371663
_cell_length_a     9.57763
_cell_length_b     8.24165
_cell_length_c     8.48340
_cell_angle_alpha  85.71275
_cell_angle_beta   90.00000
_cell_angle_gamma  125.52445
_cell_volume       542.69485
_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 0.90378 0.80757 0.13974 1.00000
  Ho2 Ho 0.03468 0.70746 0.79017 1.00000
  Ho3 Ho 0.67277 0.70746 0.79017 1.00000
  Ho4 Ho 0.17938 0.76581 0.36594 1.00000
  Ho5 Ho 0.58642 0.76581 0.36594 1.00000
  Ho6 Ho 0.41606 0.83211 0.68156 1.00000
  Ho7 Ho 0.58394 0.16789 0.31844 1.00000
  Ho8 Ho 0.82062 0.23419 0.63406 1.00000
  Ho9 Ho 0.41358 0.23419 0.63406 1.00000
  Ho10 Ho 0.96532 0.29254 0.20983 1.00000
  Ho11 Ho 0.32723 0.29254 0.20983 1.00000
  Ho12 Ho 0.09622 0.19243 0.86026 1.00000
  Mg1 Mg 0.67020 1.00000 1.00000 1.00000
  Mg2 Mg 0.32980 0.00000 0.00000 1.00000
  In1 In 0.22005 0.44009 0.52078 1.00000
  In2 In 0.31555 0.63111 0.03358 1.00000
  In3 In 0.00000 0.00000 0.50000 1.00000
  In4 In 0.68445 0.36889 0.96642 1.00000
  In5 In 0.77995 0.55991 0.47922 1.00000
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