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YIn5Co

Alexandria ALEX

Alex-ID: agm005487012 · Space group: P4/mmm (#123)

Basic Information

Formula
YIn5Co
Alex-ID
agm005487012
Elements
3
Sites
7
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
169.09
ų
Cell a
4.3601
Å
Cell b
4.3601
Å
Cell c
8.8949
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YIn5Co
Y
1.00 · 14.3%
In
5.00 · 71.4%
Co
1.00 · 14.3%

Energy & Stability

Energy above hull
0.3016
eV/atom
Formation energy
0.0714
eV/atom
Corrected total energy
-26.9350
eV
Raw total energy
-26.9350
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.1676
Total magnetisation
0.7744
μB

Additional Information

Prototype ID

ABC5_43_spg123

Decomposition

YIn3 Co In

Computed at

2023-03-17 22:52:21.062896

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: agm005487012).

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 agm005487012
data_agm005487012
_cell_length_a     4.36009
_cell_length_b     4.36009
_cell_length_c     8.89486
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       169.09472
_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
  Y1 Y 0.00000 0.00000 0.50000 1.00000
  In1 In 0.50000 0.50000 0.00000 1.00000
  In2 In 0.00000 0.50000 0.23636 1.00000
  In3 In 0.50000 0.00000 0.23636 1.00000
  In4 In 0.00000 0.50000 0.76364 1.00000
  In5 In 0.50000 0.00000 0.76364 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
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