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KEuTe4

Alexandria ALEX

Alex-ID: agm078230278 · Space group: P4/nbm (#125)

Basic Information

Formula
KEuTe4
Alex-ID
agm078230278
Elements
3
Sites
12
Space group
P4/nbm (#125)
Crystal system
tetragonal
Volume
435.23
ų
Cell a
6.7800
Å
Cell b
6.7800
Å
Cell c
9.4679
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
KEuTe4
K
2.00 · 16.7%
Eu
2.00 · 16.7%
Te
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8771
eV/atom
Corrected total energy
-58.4123
eV
Raw total energy
-58.4123
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0041
eV
DOS at Fermi level
25.4693
Total magnetisation
13.5551
μB

Additional Information

Prototype ID

ABC4_607_spg11

Decomposition

KEuTe4

Computed at

2025-01-09 16:05:53

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: agm078230278).

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 agm078230278
data_agm078230278
_cell_length_a     6.78000
_cell_length_b     6.78000
_cell_length_c     9.46793
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       435.22628
_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
  K1 K 0.50000 0.50000 0.00000 1.00000
  K2 K 0.00000 0.00000 0.00000 1.00000
  Eu1 Eu 0.50000 0.50000 0.50000 1.00000
  Eu2 Eu 0.00000 0.00000 0.50000 1.00000
  Te1 Te 0.64760 0.85240 0.27704 1.00000
  Te2 Te 0.14760 0.64760 0.27704 1.00000
  Te3 Te 0.35240 0.14760 0.27704 1.00000
  Te4 Te 0.85240 0.35240 0.27704 1.00000
  Te5 Te 0.64760 0.14760 0.72296 1.00000
  Te6 Te 0.14760 0.35240 0.72296 1.00000
  Te7 Te 0.35240 0.85240 0.72296 1.00000
  Te8 Te 0.85240 0.64760 0.72296 1.00000
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