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AcGePb

Alexandria ALEX

Alex-ID: agm005663160 · Space group: Cmcm (#63)

Basic Information

Formula
AcGePb
Alex-ID
agm005663160
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
184.41
ų
Cell a
4.1242
Å
Cell b
4.5568
Å
Cell c
10.0738
Å
α angle
103.07
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AcGePb
Ac
2.00 · 33.3%
Ge
2.00 · 33.3%
Pb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0701
eV/atom
Formation energy
-0.5111
eV/atom
Corrected total energy
-27.9348
eV
Raw total energy
-27.9348
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.7459
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_8744_spg11

Decomposition

Ac2Ge2Pb AcGe2 AcPb3

Computed at

2023-06-17 11:46:16.161570

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: agm005663160).

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 agm005663160
data_agm005663160
_cell_length_a     4.12417
_cell_length_b     4.55681
_cell_length_c     10.07385
_cell_angle_alpha  103.07167
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       184.41282
_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 0.25000 0.90570 0.81140 1.00000
  Ac2 Ac 0.75000 0.09430 0.18860 1.00000
  Ge1 Ge 0.25000 0.54135 0.08270 1.00000
  Ge2 Ge 0.75000 0.45865 0.91730 1.00000
  Pb1 Pb 0.75000 0.28448 0.56897 1.00000
  Pb2 Pb 0.25000 0.71552 0.43103 1.00000
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