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Ho2Er

Alexandria ALEX

Alex-ID: agm024940192 · Space group: Cmcm (#63)

Basic Information

Formula
Ho2Er
Alex-ID
agm024940192
Elements
2
Sites
12
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
365.18
ų
Cell a
9.2987
Å
Cell b
9.2987
Å
Cell c
11.3550
Å
α angle
90.00
°
β angle
90.00
°
γ angle
158.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Er
Ho
8.00 · 66.7%
Er
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0024
eV/atom
Formation energy
-0.0014
eV/atom
Corrected total energy
-54.8967
eV
Raw total energy
-54.8967
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0042
eV
DOS at Fermi level
12.9691
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_8983_spg63

Decomposition

Ho7Er2 HoEr5

Computed at

2025-03-16 04:30:34

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: agm024940192).

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 agm024940192
data_agm024940192
_cell_length_a     9.29865
_cell_length_b     9.29865
_cell_length_c     11.35499
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  158.16417
_cell_volume       365.18238
_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 0.00000 0.50000 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.33332 0.66668 0.49966 1.00000
  Ho4 Ho 0.66668 0.33332 0.50034 1.00000
  Ho5 Ho 0.66668 0.33332 0.99966 1.00000
  Ho6 Ho 0.33332 0.66668 0.00034 1.00000
  Ho7 Ho 0.88828 0.11172 0.75000 1.00000
  Ho8 Ho 0.11172 0.88828 0.25000 1.00000
  Er1 Er 0.55510 0.44490 0.75000 1.00000
  Er2 Er 0.44490 0.55510 0.25000 1.00000
  Er3 Er 0.22158 0.77842 0.75000 1.00000
  Er4 Er 0.77842 0.22158 0.25000 1.00000
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