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YbEu(InCu4)2

Alexandria ALEX

Alex-ID: agm005278963 · Space group: R3m (#160)

Basic Information

Formula
YbEu(InCu4)2
Alex-ID
agm005278963
Elements
4
Sites
12
Space group
R3m (#160)
Crystal system
trigonal
Volume
195.11
ų
Cell a
5.1701
Å
Cell b
5.1701
Å
Cell c
8.9417
Å
α angle
73.20
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YbEu(InCu4)2
Yb
1.00 · 8.3%
Eu
1.00 · 8.3%
In
2.00 · 16.7%
Cu
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0561
eV/atom
Formation energy
-0.1478
eV/atom
Corrected total energy
-52.3930
eV
Raw total energy
-52.3930
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0031
eV
DOS at Fermi level
20.2918
Total magnetisation
6.9747
μB

Additional Information

Prototype ID

ABC2D8_147_spg160

Decomposition

EuIn2 YbCu5 Cu

Computed at

2024-10-19 23:40:25

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: agm005278963).

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 agm005278963
data_agm005278963
_cell_length_a     5.17008
_cell_length_b     5.17008
_cell_length_c     8.94172
_cell_angle_alpha  73.19601
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       195.11480
_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
  Yb1 Yb 0.37470 0.74939 0.87591 1.00000
  Eu1 Eu 0.87529 0.75057 0.37414 1.00000
  In1 In 0.00146 0.00291 0.99563 1.00000
  In2 In 0.49836 0.99672 0.50493 1.00000
  Cu1 Cu 0.43922 0.37698 0.18380 1.00000
  Cu2 Cu 0.93817 0.37169 0.69014 1.00000
  Cu3 Cu 0.43922 0.87844 0.18380 1.00000
  Cu4 Cu 0.93817 0.87634 0.69014 1.00000
  Cu5 Cu 0.18684 0.37367 0.43950 1.00000
  Cu6 Cu 0.68731 0.37461 0.93808 1.00000
  Cu7 Cu 0.93776 0.37698 0.18380 1.00000
  Cu8 Cu 0.43352 0.37169 0.69014 1.00000
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