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HoEr4In

Alexandria ALEX

Alex-ID: agm069203528 · Space group: Cmmm (#65)

Basic Information

Formula
HoEr4In
Alex-ID
agm069203528
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
173.58
ų
Cell a
7.8564
Å
Cell b
7.8564
Å
Cell c
4.8155
Å
α angle
90.00
°
β angle
90.00
°
γ angle
144.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoEr4In
Ho
1.00 · 16.7%
Er
4.00 · 66.7%
In
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0187
eV/atom
Formation energy
-0.1558
eV/atom
Corrected total energy
-26.5343
eV
Raw total energy
-26.5343
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0052
eV
DOS at Fermi level
6.8270
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1256_spg71

Decomposition

HoErIn Er2In HoEr5

Computed at

2025-04-15 00:54:34

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: agm069203528).

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 agm069203528
data_agm069203528
_cell_length_a     7.85643
_cell_length_b     7.85643
_cell_length_c     4.81547
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  144.26820
_cell_volume       173.57860
_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
  Er1 Er 0.16298 0.83702 0.00000 1.00000
  Er2 Er 0.83702 0.16298 0.00000 1.00000
  Er3 Er 0.66825 0.33175 0.50000 1.00000
  Er4 Er 0.33175 0.66825 0.50000 1.00000
  In1 In 0.50000 0.50000 0.00000 1.00000
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