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Eu2Cu5B4

Alexandria ALEX

Alex-ID: agm002201010 · Space group: C2/m (#12)

Basic Information

Formula
Eu2Cu5B4
Alex-ID
agm002201010
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
148.07
ų
Cell a
5.3407
Å
Cell b
5.6047
Å
Cell c
6.3794
Å
α angle
67.00
°
β angle
65.29
°
γ angle
61.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2Cu5B4
Eu
2.00 · 18.2%
B
4.00 · 36.4%
Cu
5.00 · 45.5%

Energy & Stability

Energy above hull
0.1623
eV/atom
Formation energy
-0.0811
eV/atom
Corrected total energy
-68.9499
eV
Raw total energy
-68.9499
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0061
eV
DOS at Fermi level
5.9742
Total magnetisation
13.8823
μB

Additional Information

Prototype ID

A2B4C5_0_spg12

Decomposition

EuCu5 EuB6 EuCu

Computed at

2018-11-19 02:07:07

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: agm002201010).

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 agm002201010
data_agm002201010
_cell_length_a     5.34065
_cell_length_b     5.60471
_cell_length_c     6.37943
_cell_angle_alpha  66.99914
_cell_angle_beta   65.28939
_cell_angle_gamma  61.55500
_cell_volume       148.07230
_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 0.26285 0.83773 0.63675 1.00000
  Eu2 Eu 0.73715 0.16227 0.36325 1.00000
  B1 B 0.40946 0.04904 0.13291 1.00000
  B2 B 0.59054 0.95096 0.86709 1.00000
  B3 B 0.77794 0.63709 0.80663 1.00000
  B4 B 0.22206 0.36291 0.19337 1.00000
  Cu1 Cu 0.16660 0.29771 0.87624 1.00000
  Cu2 Cu 0.83340 0.70229 0.12376 1.00000
  Cu3 Cu 0.00000 0.50000 0.50000 1.00000
  Cu4 Cu 0.65971 0.29743 0.87563 1.00000
  Cu5 Cu 0.34029 0.70257 0.12437 1.00000
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