Navigation

HEAS Data Platform · Materials Science Database

Ho6Er8B

Alexandria ALEX

Alex-ID: agm072102004 · Space group: R-3 (#148)

Basic Information

Formula
Ho6Er8B
Alex-ID
agm072102004
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
445.53
ų
Cell a
7.9594
Å
Cell b
7.9594
Å
Cell c
7.9594
Å
α angle
72.39
°
β angle
72.39
°
γ angle
72.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Er8B
Ho
6.00 · 40.0%
Er
8.00 · 53.3%
B
1.00 · 6.7%

Energy & Stability

Energy above hull
0.1011
eV/atom
Formation energy
0.0341
eV/atom
Corrected total energy
-70.1395
eV
Raw total energy
-70.1395
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.0999
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

Ho7Er2 HoEr5 ErB2

Computed at

2024-10-11 07:24:09.340030

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: agm072102004).

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 agm072102004
data_agm072102004
_cell_length_a     7.95935
_cell_length_b     7.95935
_cell_length_c     7.95935
_cell_angle_alpha  72.38619
_cell_angle_beta   72.38619
_cell_angle_gamma  72.38619
_cell_volume       445.53283
_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 0.17936 0.60123 0.47153 1.00000
  Ho2 Ho 0.47153 0.17936 0.60123 1.00000
  Ho3 Ho 0.60123 0.47153 0.17936 1.00000
  Ho4 Ho 0.82064 0.39877 0.52847 1.00000
  Ho5 Ho 0.52847 0.82064 0.39877 1.00000
  Ho6 Ho 0.39877 0.52847 0.82064 1.00000
  Er1 Er 0.25547 0.25547 0.25547 1.00000
  Er2 Er 0.74453 0.74453 0.74453 1.00000
  Er3 Er 0.89400 0.03742 0.31982 1.00000
  Er4 Er 0.31982 0.89400 0.03742 1.00000
  Er5 Er 0.03742 0.31982 0.89400 1.00000
  Er6 Er 0.10600 0.96258 0.68018 1.00000
  Er7 Er 0.68018 0.10600 0.96258 1.00000
  Er8 Er 0.96258 0.68018 0.10600 1.00000
  B1 B 0.00000 0.00000 0.00000 1.00000
Get direct link