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Mg2Pb

Alexandria ALEX

Alex-ID: agm005448191 · Space group: I4_1/amd (#141)

Basic Information

Formula
Mg2Pb
Alex-ID
agm005448191
Elements
2
Sites
6
Space group
I4_1/amd (#141)
Crystal system
tetragonal
Volume
161.31
ų
Cell a
14.2481
Å
Cell b
14.2481
Å
Cell c
14.2481
Å
α angle
166.34
°
β angle
166.34
°
γ angle
19.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg2Pb
Mg
4.00 · 66.7%
Pb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1106
eV/atom
Formation energy
0.0473
eV/atom
Corrected total energy
-13.5115
eV
Raw total energy
-13.5115
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
2.2641
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_1922_spg141

Decomposition

Mg2Pb

Computed at

2023-03-22 21:23:57.671334

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: agm005448191).

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 agm005448191
data_agm005448191
_cell_length_a     14.24814
_cell_length_b     14.24814
_cell_length_c     14.24814
_cell_angle_alpha  166.33963
_cell_angle_beta   166.33963
_cell_angle_gamma  19.36499
_cell_volume       161.31135
_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
  Mg1 Mg 0.42091 0.42091 0.00000 1.00000
  Mg2 Mg 0.57909 0.57909 0.00000 1.00000
  Mg3 Mg 0.17091 0.67091 0.50000 1.00000
  Mg4 Mg 0.32909 0.82909 0.50000 1.00000
  Pb1 Pb 0.75000 0.25000 0.50000 1.00000
  Pb2 Pb 0.00000 0.00000 0.00000 1.00000
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