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Y6Co2Ag

Alexandria ALEX

Alex-ID: agm005697396 · Space group: Immm (#71)

Basic Information

Formula
Y6Co2Ag
Alex-ID
agm005697396
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
446.51
ų
Cell a
8.3448
Å
Cell b
8.3448
Å
Cell c
8.3448
Å
α angle
107.27
°
β angle
109.09
°
γ angle
112.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y6Co2Ag
Y
12.00 · 66.7%
Co
4.00 · 22.2%
Ag
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0129
eV/atom
Formation energy
-0.1886
eV/atom
Corrected total energy
-115.1498
eV
Raw total energy
-115.1498
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0043
eV
DOS at Fermi level
21.5439
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C6_730_spg71

Decomposition

Y5Co2 Y12Co6Ag Y4CoAg

Computed at

2023-07-06 21:58:11.728663

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: agm005697396).

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 agm005697396
data_agm005697396
_cell_length_a     8.34480
_cell_length_b     8.34480
_cell_length_c     8.34480
_cell_angle_alpha  107.26654
_cell_angle_beta   109.08502
_cell_angle_gamma  112.09924
_cell_volume       446.51134
_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 0.53501 0.71628 0.81873 1.00000
  Y2 Y 0.46499 0.28372 0.18127 1.00000
  Y3 Y 0.10245 0.28372 0.81873 1.00000
  Y4 Y 0.89755 0.71628 0.18127 1.00000
  Y5 Y 0.80001 0.76782 0.56783 1.00000
  Y6 Y 0.19999 0.23218 0.43217 1.00000
  Y7 Y 0.19999 0.76782 0.96782 1.00000
  Y8 Y 0.80001 0.23218 0.03218 1.00000
  Y9 Y 0.68895 0.36435 0.67540 1.00000
  Y10 Y 0.31105 0.63565 0.32460 1.00000
  Y11 Y 0.31105 0.98645 0.67540 1.00000
  Y12 Y 0.68895 0.01355 0.32460 1.00000
  Co1 Co 0.50000 0.38669 0.88669 1.00000
  Co2 Co 0.50000 0.61331 0.11331 1.00000
  Co3 Co 0.65442 0.00000 0.65442 1.00000
  Co4 Co 0.34558 1.00000 0.34558 1.00000
  Ag1 Ag 0.00000 0.50000 0.50000 1.00000
  Ag2 Ag 0.00000 0.00000 0.00000 1.00000
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