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Eu3In2Cu7

Alexandria ALEX

Alex-ID: agm101531900 · Space group: R-3m (#166)

Basic Information

Formula
Eu3In2Cu7
Alex-ID
agm101531900
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
231.59
ų
Cell a
9.1634
Å
Cell b
9.1634
Å
Cell c
9.1634
Å
α angle
35.48
°
β angle
35.48
°
γ angle
35.48
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu3In2Cu7
Eu
3.00 · 25.0%
In
2.00 · 16.7%
Cu
7.00 · 58.3%

Energy & Stability

Energy above hull
0.1239
eV/atom
Formation energy
-0.0645
eV/atom
Corrected total energy
-66.2556
eV
Raw total energy
-66.2555
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0239
eV
DOS at Fermi level
19.3842
Total magnetisation
21.3508
μB

Additional Information

Prototype ID

A2B3C7_69_spg12

Decomposition

EuIn EuCu5 Cu

Computed at

2025-05-16 02:30:56

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: agm101531900).

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 agm101531900
data_agm101531900
_cell_length_a     9.16341
_cell_length_b     9.16341
_cell_length_c     9.16341
_cell_angle_alpha  35.47604
_cell_angle_beta   35.47604
_cell_angle_gamma  35.47604
_cell_volume       231.58957
_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
  Eu2 Eu 0.85579 0.85579 0.85579 1.00000
  Eu3 Eu 0.14421 0.14421 0.14421 1.00000
  In1 In 0.67206 0.67206 0.67206 1.00000
  In2 In 0.32794 0.32794 0.32794 1.00000
  Cu1 Cu 0.50000 0.50000 0.50000 1.00000
  Cu2 Cu 0.42298 0.42298 0.89464 1.00000
  Cu3 Cu 0.89464 0.42298 0.42298 1.00000
  Cu4 Cu 0.42298 0.89464 0.42298 1.00000
  Cu5 Cu 0.57702 0.57702 0.10536 1.00000
  Cu6 Cu 0.57702 0.10536 0.57702 1.00000
  Cu7 Cu 0.10536 0.57702 0.57702 1.00000
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