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Ga12Co4Pb

Alexandria ALEX

Alex-ID: agm099423809 · Space group: P1 (#1)

Basic Information

Formula
Ga12Co4Pb
Alex-ID
agm099423809
Elements
3
Sites
17
Space group
P1 (#1)
Crystal system
triclinic
Volume
290.50
ų
Cell a
4.7940
Å
Cell b
7.2993
Å
Cell c
8.5964
Å
α angle
87.09
°
β angle
103.02
°
γ angle
83.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga12Co4Pb
Ga
12.00 · 70.6%
Co
4.00 · 23.5%
Pb
1.00 · 5.9%

Energy & Stability

Energy above hull
0.1743
eV/atom
Formation energy
-0.0709
eV/atom
Corrected total energy
-69.7604
eV
Raw total energy
-69.7604
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0585
eV
DOS at Fermi level
8.1336
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C12_1918_spg1

Decomposition

Ga3Co Pb

Computed at

2025-04-14 17:09:10

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: agm099423809).

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 agm099423809
data_agm099423809
_cell_length_a     4.79396
_cell_length_b     7.29930
_cell_length_c     8.59639
_cell_angle_alpha  87.08773
_cell_angle_beta   103.02032
_cell_angle_gamma  83.82210
_cell_volume       290.49812
_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
  Ga1 Ga 0.72514 0.96749 0.74537 1.00000
  Ga2 Ga 0.42687 0.90719 0.27158 1.00000
  Ga3 Ga 0.62316 0.52124 0.73823 1.00000
  Ga4 Ga 0.54862 0.46692 0.41461 1.00000
  Ga5 Ga 0.42780 0.49257 0.08451 1.00000
  Ga6 Ga 0.80499 0.13255 0.47853 1.00000
  Ga7 Ga 0.59932 0.82586 0.01178 1.00000
  Ga8 Ga 0.28274 0.83793 0.54552 1.00000
  Ga9 Ga 0.12311 0.42403 0.56049 1.00000
  Ga10 Ga 0.90842 0.19493 0.13243 1.00000
  Ga11 Ga 0.11057 0.67052 0.79970 1.00000
  Ga12 Ga 0.99115 0.61535 0.26203 1.00000
  Co1 Co 0.08838 0.85302 0.01903 1.00000
  Co2 Co 0.93234 0.93353 0.29631 1.00000
  Co3 Co 0.90815 0.49110 0.00797 1.00000
  Co4 Co 0.78987 0.73082 0.51990 1.00000
  Pb1 Pb 0.20935 0.18496 0.86200 1.00000
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