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Ho6Mn2Tl

Alexandria ALEX

Alex-ID: agm005704547 · Space group: Immm (#71)

Basic Information

Formula
Ho6Mn2Tl
Alex-ID
agm005704547
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
456.99
ų
Cell a
8.4072
Å
Cell b
8.4072
Å
Cell c
8.4072
Å
α angle
107.52
°
β angle
109.83
°
γ angle
111.08
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Mn2Tl
Ho
12.00 · 66.7%
Mn
4.00 · 22.2%
Tl
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0276
eV/atom
Formation energy
-0.0631
eV/atom
Corrected total energy
-97.4880
eV
Raw total energy
-97.4880
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0021
eV
DOS at Fermi level
17.7436
Total magnetisation
4.2788
μB

Additional Information

Prototype ID

AB2C6_730_spg71

Decomposition

Ho9Tl4 Ho2Mn17 Ho

Computed at

2023-07-08 18:12:19.764378

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: agm005704547).

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 agm005704547
data_agm005704547
_cell_length_a     8.40724
_cell_length_b     8.40724
_cell_length_c     8.40724
_cell_angle_alpha  107.51841
_cell_angle_beta   109.83105
_cell_angle_gamma  111.08424
_cell_volume       456.99104
_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 0.47882 0.28773 0.19109 1.00000
  Ho2 Ho 0.52118 0.71227 0.80891 1.00000
  Ho3 Ho 0.90336 0.71227 0.19109 1.00000
  Ho4 Ho 0.09664 0.28773 0.80891 1.00000
  Ho5 Ho 0.21898 0.77008 0.98905 1.00000
  Ho6 Ho 0.78102 0.22992 0.01095 1.00000
  Ho7 Ho 0.78102 0.77008 0.55110 1.00000
  Ho8 Ho 0.21898 0.22992 0.44890 1.00000
  Ho9 Ho 0.29315 0.98111 0.68797 1.00000
  Ho10 Ho 0.70685 0.01889 0.31203 1.00000
  Ho11 Ho 0.70685 0.39482 0.68797 1.00000
  Ho12 Ho 0.29315 0.60518 0.31203 1.00000
  Mn1 Mn 0.50000 0.39466 0.89466 1.00000
  Mn2 Mn 0.50000 0.60534 0.10534 1.00000
  Mn3 Mn 0.38818 1.00000 0.38818 1.00000
  Mn4 Mn 0.61182 0.00000 0.61182 1.00000
  Tl1 Tl 0.00000 0.50000 0.50000 1.00000
  Tl2 Tl 0.00000 0.00000 0.00000 1.00000
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