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Ho(Er3Os)2

Alexandria ALEX

Alex-ID: agm005646942 · Space group: C2/m (#12)

Basic Information

Formula
Ho(Er3Os)2
Alex-ID
agm005646942
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
244.36
ų
Cell a
3.9552
Å
Cell b
7.7349
Å
Cell c
8.5904
Å
α angle
78.33
°
β angle
76.69
°
γ angle
75.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Er3Os)2
Ho
1.00 · 11.1%
Er
6.00 · 66.7%
Os
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1007
eV/atom
Formation energy
-0.1616
eV/atom
Corrected total energy
-55.8691
eV
Raw total energy
-55.8691
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.9165
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_944_spg12

Decomposition

Er3Os Ho

Computed at

2023-07-07 11:33:53.062845

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: agm005646942).

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 agm005646942
data_agm005646942
_cell_length_a     3.95522
_cell_length_b     7.73486
_cell_length_c     8.59035
_cell_angle_alpha  78.33024
_cell_angle_beta   76.69037
_cell_angle_gamma  75.18640
_cell_volume       244.35679
_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 0.00000 0.50000 0.50000 1.00000
  Er1 Er 0.01059 0.16892 0.80990 1.00000
  Er2 Er 0.27333 0.34176 0.11158 1.00000
  Er3 Er 0.72667 0.65824 0.88842 1.00000
  Er4 Er 0.31075 0.82442 0.55409 1.00000
  Er5 Er 0.68925 0.17558 0.44591 1.00000
  Er6 Er 0.98941 0.83108 0.19010 1.00000
  Os1 Os 0.39719 0.44975 0.75586 1.00000
  Os2 Os 0.60281 0.55025 0.24414 1.00000
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