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CoPb7

Alexandria ALEX

Alex-ID: agm005494430 · Space group: Fm-3m (#225)

Basic Information

Formula
CoPb7
Alex-ID
agm005494430
Elements
2
Sites
8
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
231.04
ų
Cell a
6.8876
Å
Cell b
6.8876
Å
Cell c
6.8876
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoPb7
Co
1.00 · 12.5%
Pb
7.00 · 87.5%

Energy & Stability

Energy above hull
0.3278
eV/atom
Formation energy
0.3278
eV/atom
Corrected total energy
-30.4594
eV
Raw total energy
-30.4594
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.7839
Total magnetisation
1.4832
μB

Additional Information

Prototype ID

AB7_0_spg225

Decomposition

Pb Co

Computed at

2023-03-18 18:36:06.753854

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: agm005494430).

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 agm005494430
data_agm005494430
_cell_length_a     6.88760
_cell_length_b     6.88760
_cell_length_c     6.88760
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       231.04048
_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
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Pb1 Pb 0.50000 0.50000 0.00000 1.00000
  Pb2 Pb 0.50000 0.00000 0.50000 1.00000
  Pb3 Pb 0.50000 0.00000 0.00000 1.00000
  Pb4 Pb 0.00000 0.00000 0.50000 1.00000
  Pb5 Pb 0.00000 0.50000 0.00000 1.00000
  Pb6 Pb 0.00000 0.50000 0.50000 1.00000
  Pb7 Pb 0.50000 0.50000 0.50000 1.00000
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