Navigation

HEAS Data Platform · Materials Science Database

EuInCu4

Alexandria ALEX

Alex-ID: agm002147229 · Space group: F-43m (#216)

Basic Information

Formula
EuInCu4
Alex-ID
agm002147229
Elements
3
Sites
6
Space group
F-43m (#216)
Crystal system
cubic
Volume
99.66
ų
Cell a
5.2150
Å
Cell b
5.2019
Å
Cell c
5.2187
Å
α angle
59.73
°
β angle
59.94
°
γ angle
59.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuInCu4
Eu
1.00 · 16.7%
Cu
4.00 · 66.7%
In
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0401
eV/atom
Formation energy
-0.1173
eV/atom
Corrected total energy
-30.3877
eV
Raw total energy
-30.3877
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
9.1591
Total magnetisation
-6.7443
μB

Additional Information

Prototype ID

ABC4_12_spg216

Decomposition

EuIn Cu

Computed at

2018-12-28 14:19:31

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: agm002147229).

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 agm002147229
data_agm002147229
_cell_length_a     5.21499
_cell_length_b     5.20192
_cell_length_c     5.21870
_cell_angle_alpha  59.73133
_cell_angle_beta   59.93550
_cell_angle_gamma  59.73943
_cell_volume       99.65646
_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 0.99959 0.00058 1.00000
  Cu1 Cu 0.62336 0.62662 0.12670 1.00000
  Cu2 Cu 0.62595 0.12835 0.62142 1.00000
  Cu3 Cu 0.62301 0.62419 0.62521 1.00000
  Cu4 Cu 0.12792 0.62277 0.62458 1.00000
  In1 In 0.25000 0.24848 0.25151 1.00000
Get direct link