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EuCdAu5

Alexandria ALEX

Alex-ID: agm003258552 · Space group: I-4m2 (#119)

Basic Information

Formula
EuCdAu5
Alex-ID
agm003258552
Elements
3
Sites
7
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
146.75
ų
Cell a
5.8472
Å
Cell b
5.8472
Å
Cell c
5.8472
Å
α angle
102.91
°
β angle
102.91
°
γ angle
123.60
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuCdAu5
Eu
1.00 · 14.3%
Cd
1.00 · 14.3%
Au
5.00 · 71.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4270
eV/atom
Corrected total energy
-30.5741
eV
Raw total energy
-30.5741
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
13.5710
Total magnetisation
-6.9482
μB

Additional Information

Prototype ID

ABC5_88_spg119

Decomposition

EuCdAu5

Computed at

2021-12-03 06:17:40.666830

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: agm003258552).

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 agm003258552
data_agm003258552
_cell_length_a     5.84719
_cell_length_b     5.84719
_cell_length_c     5.84719
_cell_angle_alpha  102.90520
_cell_angle_beta   102.90520
_cell_angle_gamma  123.59528
_cell_volume       146.75248
_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
  Cd1 Cd 0.75000 0.25000 0.50000 1.00000
  Au1 Au 0.69473 0.30527 0.00000 1.00000
  Au2 Au 0.30527 0.69473 0.00000 1.00000
  Au3 Au 0.30527 0.30527 0.61055 1.00000
  Au4 Au 0.69473 0.69473 0.38945 1.00000
  Au5 Au 0.25000 0.75000 0.50000 1.00000
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