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EuBi2

Alexandria ALEX

Alex-ID: agm005508897 · Space group: I4_1/amd (#141)

Basic Information

Formula
EuBi2
Alex-ID
agm005508897
Elements
2
Sites
12
Space group
I4_1/amd (#141)
Crystal system
tetragonal
Volume
385.94
ų
Cell a
17.3642
Å
Cell b
17.3642
Å
Cell c
17.3642
Å
α angle
164.24
°
β angle
164.24
°
γ angle
22.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuBi2
Eu
4.00 · 33.3%
Bi
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0092
eV/atom
Formation energy
-0.6151
eV/atom
Corrected total energy
-79.5264
eV
Raw total energy
-79.5264
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
31.4039
Total magnetisation
27.5741
μB

Additional Information

Prototype ID

AB2_39_spg141

Decomposition

EuBi2

Computed at

2023-04-06 14:12:02

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: agm005508897).

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 agm005508897
data_agm005508897
_cell_length_a     17.36416
_cell_length_b     17.36416
_cell_length_c     17.36416
_cell_angle_alpha  164.24468
_cell_angle_beta   164.24468
_cell_angle_gamma  22.35274
_cell_volume       385.93728
_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
  Eu1 Eu 0.57384 0.57384 0.00000 1.00000
  Eu2 Eu 0.32384 0.82384 0.50000 1.00000
  Eu3 Eu 0.17616 0.67616 0.50000 1.00000
  Eu4 Eu 0.42616 0.42616 0.00000 1.00000
  Bi1 Bi 0.09230 0.09230 0.00000 1.00000
  Bi2 Bi 0.84230 0.34230 0.50000 1.00000
  Bi3 Bi 0.65770 0.15770 0.50000 1.00000
  Bi4 Bi 0.90770 0.90770 0.00000 1.00000
  Bi5 Bi 0.75176 0.75176 0.00000 1.00000
  Bi6 Bi 0.50176 0.00176 0.50000 1.00000
  Bi7 Bi 0.99824 0.49824 0.50000 1.00000
  Bi8 Bi 0.24824 0.24824 0.00000 1.00000
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