Navigation

HEAS Data Platform · Materials Science Database

EuIrPb3

Alexandria ALEX

Alex-ID: agm002269337 · Space group: Cm (#8)

Basic Information

Formula
EuIrPb3
Alex-ID
agm002269337
Elements
3
Sites
5
Space group
Cm (#8)
Crystal system
monoclinic
Volume
142.85
ų
Cell a
5.1794
Å
Cell b
4.8799
Å
Cell c
7.2402
Å
α angle
109.62
°
β angle
121.81
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuIrPb3
Pb
3.00 · 60.0%
Eu
1.00 · 20.0%
Ir
1.00 · 20.0%

Energy & Stability

Energy above hull
0.1497
eV/atom
Formation energy
-0.1601
eV/atom
Corrected total energy
-31.0610
eV
Raw total energy
-31.0610
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0035
eV
DOS at Fermi level
2.8281
Total magnetisation
6.9228
μB

Additional Information

Prototype ID

ABC3_416_spg8

Decomposition

EuPb3 Ir

Computed at

2018-12-22 01:31:05

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: agm002269337).

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 agm002269337
data_agm002269337
_cell_length_a     5.17937
_cell_length_b     4.87988
_cell_length_c     7.24020
_cell_angle_alpha  109.62382
_cell_angle_beta   121.81409
_cell_angle_gamma  89.99044
_cell_volume       142.84875
_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 0.50828 0.43679 0.87449 1.00000
  Pb2 Pb 0.73363 0.25202 0.50385 1.00000
  Pb3 Pb 0.19149 0.73564 0.47112 1.00000
  Eu1 Eu 0.06990 0.97559 0.95186 1.00000
  Ir1 Ir 0.53770 0.64096 0.28068 1.00000
Get direct link