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Co2Te4Rh

Alexandria ALEX

Alex-ID: agm096238893 · Space group: P2/m (#10)

Basic Information

Formula
Co2Te4Rh
Alex-ID
agm096238893
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
146.37
ų
Cell a
3.9527
Å
Cell b
5.5459
Å
Cell c
6.6779
Å
α angle
88.98
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co2Te4Rh
Co
2.00 · 28.6%
Te
4.00 · 57.1%
Rh
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0578
eV/atom
Formation energy
-0.2090
eV/atom
Corrected total energy
-35.6289
eV
Raw total energy
-35.6289
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9416
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_111_spg111

Decomposition

Te2Rh Co CoTe2

Computed at

2025-04-10 16:35:35

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: agm096238893).

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 agm096238893
data_agm096238893
_cell_length_a     3.95273
_cell_length_b     5.54590
_cell_length_c     6.67792
_cell_angle_alpha  88.98013
_cell_angle_beta   89.99994
_cell_angle_gamma  90.00047
_cell_volume       146.36645
_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
  Co1 Co 0.99999 0.99998 0.00001 1.00000
  Co2 Co 0.50003 1.00000 0.49998 1.00000
  Te1 Te 0.49998 0.77204 0.83251 1.00000
  Te2 Te 0.00003 0.76796 0.34183 1.00000
  Te3 Te 0.00003 0.23203 0.65818 1.00000
  Te4 Te 0.49997 0.22799 0.16749 1.00000
  Rh1 Rh 0.99996 0.50000 0.00000 1.00000
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