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EuZnPd

Alexandria ALEX

Alex-ID: agm005256908 · Space group: Pnma (#62)

Basic Information

Formula
EuZnPd
Alex-ID
agm005256908
Elements
3
Sites
12
Space group
Pnma (#62)
Crystal system
orthorhombic
Volume
257.90
ų
Cell a
4.4729
Å
Cell b
7.2998
Å
Cell c
7.8985
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuZnPd
Eu
4.00 · 33.3%
Zn
4.00 · 33.3%
Pd
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6317
eV/atom
Corrected total energy
-74.5619
eV
Raw total energy
-74.5619
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0026
eV
DOS at Fermi level
31.7047
Total magnetisation
28.4852
μB

Additional Information

Prototype ID

ABC_6_spg62

Decomposition

EuZnPd

Computed at

2022-12-12 10:23:19.859673

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: agm005256908).

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 agm005256908
data_agm005256908
_cell_length_a     4.47294
_cell_length_b     7.29981
_cell_length_c     7.89848
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       257.89823
_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 0.25000 0.01239 0.30537 1.00000
  Eu2 Eu 0.25000 0.51239 0.19463 1.00000
  Eu3 Eu 0.75000 0.98761 0.69463 1.00000
  Eu4 Eu 0.75000 0.48761 0.80537 1.00000
  Zn1 Zn 0.25000 0.66813 0.57809 1.00000
  Zn2 Zn 0.25000 0.16813 0.92191 1.00000
  Zn3 Zn 0.75000 0.33187 0.42191 1.00000
  Zn4 Zn 0.75000 0.83187 0.07809 1.00000
  Pd1 Pd 0.25000 0.29238 0.60112 1.00000
  Pd2 Pd 0.25000 0.79238 0.89888 1.00000
  Pd3 Pd 0.75000 0.70762 0.39888 1.00000
  Pd4 Pd 0.75000 0.20762 0.10112 1.00000
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