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Er5Te4Rh

Alexandria ALEX

Alex-ID: agm003660197 · Space group: I4/m (#87)

Basic Information

Formula
Er5Te4Rh
Alex-ID
agm003660197
Elements
3
Sites
10
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
281.59
ų
Cell a
6.0784
Å
Cell b
7.4540
Å
Cell c
7.4540
Å
α angle
80.43
°
β angle
65.94
°
γ angle
65.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er5Te4Rh
Er
5.00 · 50.0%
Te
4.00 · 40.0%
Rh
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0462
eV/atom
Formation energy
-1.1598
eV/atom
Corrected total energy
-54.3300
eV
Raw total energy
-54.3300
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.2688
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB4C5_149_spg79

Decomposition

Er5Te4Rh

Computed at

2022-04-07 22:27:00.625087

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: agm003660197).

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 agm003660197
data_agm003660197
_cell_length_a     6.07843
_cell_length_b     7.45402
_cell_length_c     7.45402
_cell_angle_alpha  80.43056
_cell_angle_beta   65.93776
_cell_angle_gamma  65.93776
_cell_volume       281.58654
_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
  Er1 Er 0.90722 0.35343 0.83428 1.00000
  Er2 Er 0.26065 0.83428 0.64657 1.00000
  Er3 Er 0.74149 0.16572 0.35343 1.00000
  Er4 Er 0.09492 0.64657 0.16572 1.00000
  Er5 Er 0.50074 0.00000 0.00000 1.00000
  Te1 Te 0.41398 0.39759 0.77655 1.00000
  Te2 Te 0.81157 0.77655 0.60241 1.00000
  Te3 Te 0.19053 0.22345 0.39759 1.00000
  Te4 Te 0.58812 0.60241 0.22345 1.00000
  Rh1 Rh 0.00108 1.00000 0.00000 1.00000
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