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CeHo5In6

Alexandria ALEX

Alex-ID: agm006116210 · Space group: Immm (#71)

Basic Information

Formula
CeHo5In6
Alex-ID
agm006116210
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
320.55
ų
Cell a
5.3295
Å
Cell b
9.2444
Å
Cell c
9.2444
Å
α angle
120.28
°
β angle
106.77
°
γ angle
106.77
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeHo5In6
Ho
5.00 · 41.7%
Ce
1.00 · 8.3%
In
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0062
eV/atom
Formation energy
-0.4165
eV/atom
Corrected total energy
-50.4422
eV
Raw total energy
-50.4422
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0019
eV
DOS at Fermi level
11.4356
Total magnetisation
1.0397
μB

Additional Information

Prototype ID

AB5C6_55_spg71

Decomposition

CeHo3In4 HoIn

Computed at

2023-08-28 17:17:55.401572

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: agm006116210).

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 agm006116210
data_agm006116210
_cell_length_a     5.32948
_cell_length_b     9.24441
_cell_length_c     9.24441
_cell_angle_alpha  120.28272
_cell_angle_beta   106.76711
_cell_angle_gamma  106.76712
_cell_volume       320.54894
_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 0.50000 0.16257 0.83743 1.00000
  Ho2 Ho 0.00000 0.33184 0.66816 1.00000
  Ho3 Ho 0.50000 0.50000 0.50000 1.00000
  Ho4 Ho 1.00000 0.66816 0.33184 1.00000
  Ho5 Ho 0.50000 0.83743 0.16257 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  In1 In 0.25586 0.08607 0.42576 1.00000
  In2 In 0.74414 0.57424 0.91393 1.00000
  In3 In 0.76213 0.26194 0.26194 1.00000
  In4 In 0.23787 0.73806 0.73806 1.00000
  In5 In 0.25586 0.42576 0.08607 1.00000
  In6 In 0.74414 0.91393 0.57424 1.00000
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