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Ce2HoTe3

Alexandria ALEX

Alex-ID: agm034803224 · Space group: I4/mmm (#139)

Basic Information

Formula
Ce2HoTe3
Alex-ID
agm034803224
Elements
3
Sites
6
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
185.27
ų
Cell a
9.9093
Å
Cell b
9.9093
Å
Cell c
9.9093
Å
α angle
154.11
°
β angle
154.11
°
γ angle
36.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2HoTe3
Ce
2.00 · 33.3%
Ho
1.00 · 16.7%
Te
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0119
eV/atom
Formation energy
-1.3242
eV/atom
Corrected total energy
-33.8168
eV
Raw total energy
-33.8168
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.9670
Total magnetisation
2.4265
μB

Additional Information

Prototype ID

AB2C3_103_spg139

Decomposition

Ce3HoTe4 HoTe

Computed at

2025-04-15 10:37:19

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: agm034803224).

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 agm034803224
data_agm034803224
_cell_length_a     9.90928
_cell_length_b     9.90928
_cell_length_c     9.90928
_cell_angle_alpha  154.10929
_cell_angle_beta   154.10929
_cell_angle_gamma  36.94077
_cell_volume       185.26672
_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 0.33017 0.33017 0.00000 1.00000
  Ce2 Ce 0.66983 0.66983 0.00000 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.50000 0.50000 0.00000 1.00000
  Te2 Te 0.16193 0.16193 0.00000 1.00000
  Te3 Te 0.83807 0.83807 0.00000 1.00000
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