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Y8Co2Ge

Alexandria ALEX

Alex-ID: agm006010174 · Space group: Cm (#8)

Basic Information

Formula
Y8Co2Ge
Alex-ID
agm006010174
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
295.31
ų
Cell a
5.9791
Å
Cell b
7.4844
Å
Cell c
7.4844
Å
α angle
112.71
°
β angle
99.37
°
γ angle
99.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y8Co2Ge
Y
8.00 · 72.7%
Co
2.00 · 18.2%
Ge
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1547
eV/atom
Formation energy
-0.1532
eV/atom
Corrected total energy
-72.2547
eV
Raw total energy
-72.2547
eV

Electronic Structure

Indirect band gap
0.0101
eV
Direct band gap
0.1025
eV
DOS at Fermi level
10.6763
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

AB2C8_295_spg12

Decomposition

Y5Ge3 Y3Co Y

Computed at

2023-09-26 09:16:57

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: agm006010174).

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 agm006010174
data_agm006010174
_cell_length_a     5.97914
_cell_length_b     7.48436
_cell_length_c     7.48436
_cell_angle_alpha  112.71383
_cell_angle_beta   99.36984
_cell_angle_gamma  99.36985
_cell_volume       295.30871
_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 0.57912 0.34171 0.07471 1.00000
  Y2 Y 0.57912 0.07471 0.34171 1.00000
  Y3 Y 0.18760 0.37690 0.37690 1.00000
  Y4 Y 0.98415 0.22541 0.77567 1.00000
  Y5 Y 0.98415 0.77567 0.22541 1.00000
  Y6 Y 0.79662 0.63866 0.63866 1.00000
  Y7 Y 0.37644 0.93102 0.65882 1.00000
  Y8 Y 0.37644 0.65882 0.93102 1.00000
  Co1 Co 0.49145 0.69094 0.31521 1.00000
  Co2 Co 0.49145 0.31521 0.69094 1.00000
  Ge1 Ge 0.15313 0.00488 0.00488 1.00000
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