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EuThAu4

Alexandria ALEX

Alex-ID: agm091960046 · Space group: Pmmm (#47)

Basic Information

Formula
EuThAu4
Alex-ID
agm091960046
Elements
3
Sites
6
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
141.75
ų
Cell a
3.5504
Å
Cell b
4.8362
Å
Cell c
8.2554
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuThAu4
Eu
1.00 · 16.7%
Th
1.00 · 16.7%
Au
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0395
eV/atom
Formation energy
-0.6933
eV/atom
Corrected total energy
-34.9663
eV
Raw total energy
-34.9663
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0027
eV
DOS at Fermi level
10.9649
Total magnetisation
6.9812
μB

Additional Information

Prototype ID

ABC4_14_spg65

Decomposition

EuAu2 ThAu2

Computed at

2025-04-16 14:21:23

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: agm091960046).

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 agm091960046
data_agm091960046
_cell_length_a     3.55036
_cell_length_b     4.83619
_cell_length_c     8.25544
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       141.74781
_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 0.50000 0.50000 0.50000 1.00000
  Th1 Th 0.50000 0.00000 0.00000 1.00000
  Au1 Au 0.00000 0.00000 0.66904 1.00000
  Au2 Au 0.00000 0.00000 0.33096 1.00000
  Au3 Au 0.00000 0.50000 0.83325 1.00000
  Au4 Au 0.00000 0.50000 0.16675 1.00000
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