Navigation

HEAS Data Platform · Materials Science Database

CeHoIn3

Alexandria ALEX

Alex-ID: agm003724924 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
CeHoIn3
Alex-ID
agm003724924
Elements
3
Sites
10
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
411.35
ų
Cell a
5.1825
Å
Cell b
5.7439
Å
Cell c
14.1136
Å
α angle
101.74
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeHoIn3
Ce
2.00 · 20.0%
Ho
2.00 · 20.0%
In
6.00 · 60.0%

Energy & Stability

Energy above hull
0.7821
eV/atom
Formation energy
0.3828
eV/atom
Corrected total energy
-33.8148
eV
Raw total energy
-33.8148
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
22.5306
Total magnetisation
2.9175
μB

Additional Information

Prototype ID

ABC3_6246_spg63

Decomposition

CeHoIn2 CeHo3In4 CeIn3

Computed at

2022-04-16 01:03:58.619337

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: agm003724924).

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 agm003724924
data_agm003724924
_cell_length_a     5.18252
_cell_length_b     5.74394
_cell_length_c     14.11362
_cell_angle_alpha  101.74107
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       411.34529
_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
  Ce1 Ce 0.75000 0.89036 0.78072 1.00000
  Ce2 Ce 0.25000 0.10964 0.21928 1.00000
  Ho1 Ho 0.75000 0.77360 0.54720 1.00000
  Ho2 Ho 0.25000 0.22640 0.45280 1.00000
  In1 In 0.75000 0.92113 0.34117 1.00000
  In2 In 0.75000 0.42004 0.34117 1.00000
  In3 In 0.25000 0.57996 0.65883 1.00000
  In4 In 0.25000 0.07887 0.65883 1.00000
  In5 In 0.00000 0.00000 0.00000 1.00000
  In6 In 0.50000 0.00000 0.00000 1.00000
Get direct link