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Er5AgBi

Alexandria ALEX

Alex-ID: agm003759934 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Er5AgBi
Alex-ID
agm003759934
Elements
3
Sites
14
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
412.17
ų
Cell a
6.3152
Å
Cell b
6.3152
Å
Cell c
10.3375
Å
α angle
90.45
°
β angle
90.45
°
γ angle
91.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er5AgBi
Er
10.00 · 71.4%
Ag
2.00 · 14.3%
Bi
2.00 · 14.3%

Energy & Stability

Energy above hull
0.2131
eV/atom
Formation energy
-0.1291
eV/atom
Corrected total energy
-60.9001
eV
Raw total energy
-60.9001
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0173
eV
DOS at Fermi level
15.7293
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC5_336_spg15

Decomposition

Er5Bi3 ErAg Er

Computed at

2022-04-19 13:39:25.771048

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: agm003759934).

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 agm003759934
data_agm003759934
_cell_length_a     6.31525
_cell_length_b     6.31525
_cell_length_c     10.33754
_cell_angle_alpha  90.45230
_cell_angle_beta   90.45230
_cell_angle_gamma  91.19663
_cell_volume       412.16915
_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
  Er1 Er 0.04357 0.61081 0.16037 1.00000
  Er2 Er 0.23232 0.41800 0.49845 1.00000
  Er3 Er 0.61081 0.04357 0.66037 1.00000
  Er4 Er 0.86526 0.13474 0.25000 1.00000
  Er5 Er 0.58200 0.76768 0.00155 1.00000
  Er6 Er 0.41800 0.23232 0.99845 1.00000
  Er7 Er 0.13474 0.86526 0.75000 1.00000
  Er8 Er 0.38919 0.95643 0.33963 1.00000
  Er9 Er 0.76768 0.58200 0.50155 1.00000
  Er10 Er 0.95643 0.38919 0.83963 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.00000 0.00000 0.50000 1.00000
  Bi1 Bi 0.51444 0.48556 0.25000 1.00000
  Bi2 Bi 0.48556 0.51444 0.75000 1.00000
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