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Eu3Rh7Au2

Alexandria ALEX

Alex-ID: agm101106911 · Space group: R-3m (#166)

Basic Information

Formula
Eu3Rh7Au2
Alex-ID
agm101106911
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
225.50
ų
Cell a
9.4195
Å
Cell b
9.4195
Å
Cell c
9.4195
Å
α angle
33.40
°
β angle
33.40
°
γ angle
33.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu3Rh7Au2
Eu
3.00 · 25.0%
Rh
7.00 · 58.3%
Au
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0557
eV/atom
Formation energy
-0.3596
eV/atom
Corrected total energy
-93.1530
eV
Raw total energy
-93.1530
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
33.2866
Total magnetisation
18.5295
μB

Additional Information

Prototype ID

A2B3C7_3_spg166

Decomposition

EuRh2 EuAu2 Rh

Computed at

2025-05-17 10:44:01

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: agm101106911).

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 agm101106911
data_agm101106911
_cell_length_a     9.41951
_cell_length_b     9.41951
_cell_length_c     9.41951
_cell_angle_alpha  33.39775
_cell_angle_beta   33.39775
_cell_angle_gamma  33.39775
_cell_volume       225.50036
_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
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  Eu2 Eu 0.85980 0.85980 0.85980 1.00000
  Eu3 Eu 0.14020 0.14020 0.14020 1.00000
  Rh1 Rh 0.50000 0.50000 0.50000 1.00000
  Rh2 Rh 0.41161 0.41161 0.91799 1.00000
  Rh3 Rh 0.91799 0.41161 0.41161 1.00000
  Rh4 Rh 0.41161 0.91799 0.41161 1.00000
  Rh5 Rh 0.58839 0.58839 0.08201 1.00000
  Rh6 Rh 0.58839 0.08201 0.58839 1.00000
  Rh7 Rh 0.08201 0.58839 0.58839 1.00000
  Au1 Au 0.66641 0.66641 0.66641 1.00000
  Au2 Au 0.33359 0.33359 0.33359 1.00000
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