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Eu(AsPb)2

Alexandria ALEX

Alex-ID: agm002199166 · Space group: R-3m (#166)

Basic Information

Formula
Eu(AsPb)2
Alex-ID
agm002199166
Elements
3
Sites
5
Space group
R-3m (#166)
Crystal system
trigonal
Volume
151.65
ų
Cell a
4.3296
Å
Cell b
4.3296
Å
Cell c
9.6682
Å
α angle
77.07
°
β angle
77.07
°
γ angle
60.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu(AsPb)2
Pb
2.00 · 40.0%
Eu
1.00 · 20.0%
As
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5626
eV/atom
Corrected total energy
-29.8030
eV
Raw total energy
-29.8030
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0505
eV
DOS at Fermi level
0.2724
Total magnetisation
7.0000
μB

Additional Information

Prototype ID

AB2C2_46_spg166

Decomposition

Eu(AsPb)2

Computed at

2018-10-07 14:53:22

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: agm002199166).

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 agm002199166
data_agm002199166
_cell_length_a     4.32963
_cell_length_b     4.32963
_cell_length_c     9.66822
_cell_angle_alpha  77.06838
_cell_angle_beta   77.06838
_cell_angle_gamma  60.01712
_cell_volume       151.65095
_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
  Pb1 Pb 0.21733 0.21733 0.34777 1.00000
  Pb2 Pb 0.78267 0.78267 0.65223 1.00000
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  As1 As 0.60297 0.60297 0.19120 1.00000
  As2 As 0.39703 0.39703 0.80880 1.00000
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