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Ho6Er8Mn

Alexandria ALEX

Alex-ID: agm071909007 · Space group: R-3 (#148)

Basic Information

Formula
Ho6Er8Mn
Alex-ID
agm071909007
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
445.18
ų
Cell a
7.9525
Å
Cell b
7.9525
Å
Cell c
7.9525
Å
α angle
72.52
°
β angle
72.52
°
γ angle
72.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Er8Mn
Ho
6.00 · 40.0%
Er
8.00 · 53.3%
Mn
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0846
eV/atom
Formation energy
0.0794
eV/atom
Corrected total energy
-71.9528
eV
Raw total energy
-71.9528
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.5753
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

Er2Mn17 Ho7Er2 HoEr5

Computed at

2024-10-06 18:43:22.590564

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: agm071909007).

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 agm071909007
data_agm071909007
_cell_length_a     7.95252
_cell_length_b     7.95252
_cell_length_c     7.95252
_cell_angle_alpha  72.51867
_cell_angle_beta   72.51867
_cell_angle_gamma  72.51867
_cell_volume       445.17900
_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 0.82147 0.54370 0.39286 1.00000
  Ho2 Ho 0.54370 0.39286 0.82147 1.00000
  Ho3 Ho 0.39286 0.82147 0.54370 1.00000
  Ho4 Ho 0.17853 0.45630 0.60714 1.00000
  Ho5 Ho 0.45630 0.60714 0.17853 1.00000
  Ho6 Ho 0.60714 0.17853 0.45630 1.00000
  Er1 Er 0.75018 0.75018 0.75018 1.00000
  Er2 Er 0.24982 0.24982 0.24982 1.00000
  Er3 Er 0.11321 0.66677 0.96118 1.00000
  Er4 Er 0.66677 0.96118 0.11321 1.00000
  Er5 Er 0.96118 0.11321 0.66677 1.00000
  Er6 Er 0.88679 0.33323 0.03882 1.00000
  Er7 Er 0.33323 0.03882 0.88679 1.00000
  Er8 Er 0.03882 0.88679 0.33323 1.00000
  Mn1 Mn 0.00000 0.00000 0.00000 1.00000
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