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Ho7Mn2

Alexandria ALEX

Alex-ID: agm009746367 · Space group: C2/m (#12)

Basic Information

Formula
Ho7Mn2
Alex-ID
agm009746367
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
241.47
ų
Cell a
5.6865
Å
Cell b
5.6865
Å
Cell c
9.9596
Å
α angle
62.84
°
β angle
62.84
°
γ angle
62.46
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7Mn2
Ho
7.00 · 77.8%
Mn
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1227
eV/atom
Formation energy
0.1215
eV/atom
Corrected total energy
-49.2955
eV
Raw total energy
-49.2955
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0158
eV
DOS at Fermi level
14.0876
Total magnetisation
4.2269
μB

Additional Information

Prototype ID

A2B7_58_spg2

Decomposition

Ho2Mn17 Ho

Computed at

2024-03-29 18:11:37

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: agm009746367).

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 agm009746367
data_agm009746367
_cell_length_a     5.68652
_cell_length_b     5.68652
_cell_length_c     9.95964
_cell_angle_alpha  62.83716
_cell_angle_beta   62.83716
_cell_angle_gamma  62.46205
_cell_volume       241.46642
_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 0.79878 0.79878 0.89575 1.00000
  Ho2 Ho 0.20122 0.20122 0.10425 1.00000
  Ho3 Ho 0.43953 0.43953 0.27685 1.00000
  Ho4 Ho 0.56047 0.56047 0.72315 1.00000
  Ho5 Ho 0.00000 0.00000 0.50000 1.00000
  Ho6 Ho 0.23152 0.23152 0.69377 1.00000
  Ho7 Ho 0.76848 0.76848 0.30623 1.00000
  Mn1 Mn 0.77561 0.22439 0.00000 1.00000
  Mn2 Mn 0.22439 0.77561 0.00000 1.00000
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