Navigation

HEAS Data Platform · Materials Science Database

Ce2(HoTe2)3

Alexandria ALEX

Alex-ID: agm005604978 · Space group: C2/m (#12)

Basic Information

Formula
Ce2(HoTe2)3
Alex-ID
agm005604978
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
358.21
ų
Cell a
7.5652
Å
Cell b
7.5590
Å
Cell c
7.6684
Å
α angle
80.46
°
β angle
70.65
°
γ angle
59.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2(HoTe2)3
Ce
2.00 · 18.2%
Ho
3.00 · 27.3%
Te
6.00 · 54.5%

Energy & Stability

Energy above hull
0.0042
eV/atom
Formation energy
-1.3780
eV/atom
Corrected total energy
-59.6117
eV
Raw total energy
-59.6117
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0044
eV
DOS at Fermi level
17.7623
Total magnetisation
2.5025
μB

Additional Information

Prototype ID

A2B3C6_239_spg12

Decomposition

Ho3Te4 CeTe

Computed at

2023-06-13 00:34:20.854585

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: agm005604978).

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 agm005604978
data_agm005604978
_cell_length_a     7.56521
_cell_length_b     7.55896
_cell_length_c     7.66840
_cell_angle_alpha  80.45513
_cell_angle_beta   70.64831
_cell_angle_gamma  59.97263
_cell_volume       358.21312
_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 0.16496 0.67007 0.50000 1.00000
  Ce2 Ce 0.83504 0.32993 0.50000 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Ho2 Ho 0.32977 0.34046 0.00000 1.00000
  Ho3 Ho 0.67023 0.65954 1.00000 1.00000
  Te1 Te 0.41579 0.67728 0.75439 1.00000
  Te2 Te 0.73708 1.00000 0.75772 1.00000
  Te3 Te 0.09307 0.32272 0.75439 1.00000
  Te4 Te 0.26292 0.00000 0.24228 1.00000
  Te5 Te 0.58421 0.32272 0.24561 1.00000
  Te6 Te 0.90693 0.67728 0.24561 1.00000
Get direct link