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Ac2Ag15Pb2

Alexandria ALEX

Alex-ID: agm003301909 · Space group: R-3m (#166)

Basic Information

Formula
Ac2Ag15Pb2
Alex-ID
agm003301909
Elements
3
Sites
19
Space group
R-3m (#166)
Crystal system
trigonal
Volume
415.62
ų
Cell a
7.5029
Å
Cell b
7.5029
Å
Cell c
7.5029
Å
α angle
83.88
°
β angle
83.88
°
γ angle
83.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2Ag15Pb2
Ac
2.00 · 10.5%
Ag
15.00 · 78.9%
Pb
2.00 · 10.5%

Energy & Stability

Energy above hull
0.0514
eV/atom
Formation energy
-0.0911
eV/atom
Corrected total energy
-60.1341
eV
Raw total energy
-60.1341
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.3793
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C15_1_spg166

Decomposition

AcAg6 Ac3(AgPb)4 Ag

Computed at

2022-01-17 16:41:22.489832

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: agm003301909).

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 agm003301909
data_agm003301909
_cell_length_a     7.50290
_cell_length_b     7.50290
_cell_length_c     7.50290
_cell_angle_alpha  83.87955
_cell_angle_beta   83.87955
_cell_angle_gamma  83.87955
_cell_volume       415.62016
_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
  Ac1 Ac 0.34748 0.34748 0.34748 1.00000
  Ac2 Ac 0.65252 0.65252 0.65252 1.00000
  Ag1 Ag 0.50000 0.00000 0.00000 1.00000
  Ag2 Ag 0.00000 0.00000 0.50000 1.00000
  Ag3 Ag 0.00000 0.50000 0.00000 1.00000
  Ag4 Ag 0.00000 0.68853 0.31147 1.00000
  Ag5 Ag 0.68853 0.31147 0.00000 1.00000
  Ag6 Ag 0.31147 0.00000 0.68853 1.00000
  Ag7 Ag 0.31147 0.68853 0.00000 1.00000
  Ag8 Ag 0.68853 0.00000 0.31147 1.00000
  Ag9 Ag 0.00000 0.31147 0.68853 1.00000
  Ag10 Ag 0.16436 0.65073 0.65073 1.00000
  Ag11 Ag 0.65073 0.65073 0.16436 1.00000
  Ag12 Ag 0.65073 0.16436 0.65073 1.00000
  Ag13 Ag 0.83564 0.34927 0.34927 1.00000
  Ag14 Ag 0.34927 0.34927 0.83564 1.00000
  Ag15 Ag 0.34927 0.83564 0.34927 1.00000
  Pb1 Pb 0.10406 0.10406 0.10406 1.00000
  Pb2 Pb 0.89594 0.89594 0.89594 1.00000
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