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K3Eu7Rh2

Alexandria ALEX

Alex-ID: agm101490409 · Space group: R-3m (#166)

Basic Information

Formula
K3Eu7Rh2
Alex-ID
agm101490409
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
536.72
ų
Cell a
7.7770
Å
Cell b
7.7770
Å
Cell c
11.1853
Å
α angle
69.70
°
β angle
110.30
°
γ angle
120.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K3Eu7Rh2
K
3.00 · 25.0%
Eu
7.00 · 58.3%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1405
eV/atom
Formation energy
-0.0583
eV/atom
Corrected total energy
-90.6305
eV
Raw total energy
-90.6305
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0067
eV
DOS at Fermi level
63.7159
Total magnetisation
50.8971
μB

Additional Information

Prototype ID

A2B3C7_3_spg166

Decomposition

Eu3Rh K Eu

Computed at

2025-05-18 21:22:38

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: agm101490409).

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 agm101490409
data_agm101490409
_cell_length_a     7.77701
_cell_length_b     7.77701
_cell_length_c     11.18528
_cell_angle_alpha  69.69900
_cell_angle_beta   110.30100
_cell_angle_gamma  120.01678
_cell_volume       536.71854
_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 0.00000 0.00000 0.50000 1.00000
  K2 K 0.85432 0.14568 0.06243 1.00000
  K3 K 0.14568 0.85432 0.93757 1.00000
  Eu1 Eu 0.50000 0.50000 0.00000 1.00000
  Eu2 Eu 0.44101 0.06050 0.32076 1.00000
  Eu3 Eu 0.93950 0.55899 0.32076 1.00000
  Eu4 Eu 0.44093 0.55907 0.32080 1.00000
  Eu5 Eu 0.55899 0.93950 0.67924 1.00000
  Eu6 Eu 0.55907 0.44093 0.67920 1.00000
  Eu7 Eu 0.06050 0.44101 0.67924 1.00000
  Rh1 Rh 0.66731 0.33269 0.50192 1.00000
  Rh2 Rh 0.33269 0.66731 0.49808 1.00000
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