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EuCu2

Alexandria ALEX

Alex-ID: agm002145752 · Space group: Imma (#74)

Basic Information

Formula
EuCu2
Alex-ID
agm002145752
Elements
2
Sites
6
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
118.27
ų
Cell a
4.3910
Å
Cell b
5.6396
Å
Cell c
5.6396
Å
α angle
79.08
°
β angle
67.03
°
γ angle
67.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuCu2
Eu
2.00 · 33.3%
Cu
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0050
eV/atom
Formation energy
-0.0950
eV/atom
Corrected total energy
-37.7589
eV
Raw total energy
-37.7589
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0087
eV
DOS at Fermi level
3.7713
Total magnetisation
14.1471
μB

Additional Information

Prototype ID

AB2_78_spg74

Decomposition

EuCu5 EuCu

Computed at

2018-09-30 23:13:37

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: agm002145752).

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 agm002145752
data_agm002145752
_cell_length_a     4.39098
_cell_length_b     5.63955
_cell_length_c     5.63955
_cell_angle_alpha  79.07957
_cell_angle_beta   67.03030
_cell_angle_gamma  67.03030
_cell_volume       118.27157
_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 0.45482 0.79554 0.29554 1.00000
  Eu2 Eu 0.54518 0.20446 0.70446 1.00000
  Cu1 Cu 0.83654 0.22144 0.10595 1.00000
  Cu2 Cu 0.16346 0.77856 0.89405 1.00000
  Cu3 Cu 0.16346 0.39405 0.27856 1.00000
  Cu4 Cu 0.83654 0.60595 0.72144 1.00000
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