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Ho6Lu

Alexandria ALEX

Alex-ID: agm005406723 · Space group: Im-3m (#229)

Basic Information

Formula
Ho6Lu
Alex-ID
agm005406723
Elements
2
Sites
7
Space group
Im-3m (#229)
Crystal system
cubic
Volume
255.61
ų
Cell a
6.9247
Å
Cell b
6.9247
Å
Cell c
6.9247
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Lu
Ho
6.00 · 85.7%
Lu
1.00 · 14.3%

Energy & Stability

Energy above hull
1.5960
eV/atom
Formation energy
1.5954
eV/atom
Corrected total energy
-20.8240
eV
Raw total energy
-20.8240
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.3493
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6_105_spg229

Decomposition

HoLu3 Ho

Computed at

2022-12-15 22:53:33.233181

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: agm005406723).

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 agm005406723
data_agm005406723
_cell_length_a     6.92472
_cell_length_b     6.92472
_cell_length_c     6.92472
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       255.61434
_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 0.25000 0.75000 0.50000 1.00000
  Ho2 Ho 0.50000 0.75000 0.25000 1.00000
  Ho3 Ho 0.25000 0.50000 0.75000 1.00000
  Ho4 Ho 0.75000 0.25000 0.50000 1.00000
  Ho5 Ho 0.50000 0.25000 0.75000 1.00000
  Ho6 Ho 0.75000 0.50000 0.25000 1.00000
  Lu1 Lu 0.00000 0.00000 0.00000 1.00000
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