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Er8BiPd4

Alexandria ALEX

Alex-ID: agm097657925 · Space group: Pm (#6)

Basic Information

Formula
Er8BiPd4
Alex-ID
agm097657925
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
342.86
ų
Cell a
3.8344
Å
Cell b
9.5873
Å
Cell c
11.6945
Å
α angle
52.89
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er8BiPd4
Er
8.00 · 61.5%
Bi
1.00 · 7.7%
Pd
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1344
eV/atom
Formation energy
-0.5953
eV/atom
Corrected total energy
-68.8946
eV
Raw total energy
-68.8945
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.9151
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1386_spg8

Decomposition

Er5BiPd2 Er2Pd ErPd

Computed at

2025-06-18 02:56:52

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: agm097657925).

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 agm097657925
data_agm097657925
_cell_length_a     3.83435
_cell_length_b     9.58731
_cell_length_c     11.69455
_cell_angle_alpha  52.89478
_cell_angle_beta   89.99983
_cell_angle_gamma  89.99959
_cell_volume       342.86146
_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 0.69234 0.18994 0.18129 1.00000
  Er2 Er 0.19232 0.82574 0.21031 1.00000
  Er3 Er 0.19231 0.63411 0.79200 1.00000
  Er4 Er 0.69230 0.02222 0.62844 1.00000
  Er5 Er 0.69231 0.76380 0.49754 1.00000
  Er6 Er 0.19229 0.37535 0.34969 1.00000
  Er7 Er 0.19231 0.36409 0.65111 1.00000
  Er8 Er 0.69231 0.70887 0.00790 1.00000
  Bi1 Bi 0.69228 0.12619 0.93553 1.00000
  Pd1 Pd 0.19229 0.97406 0.83406 1.00000
  Pd2 Pd 0.19233 0.44755 0.08509 1.00000
  Pd3 Pd 0.69228 0.54079 0.40910 1.00000
  Pd4 Pd 0.19233 0.02727 0.41794 1.00000
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