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EuCd2Pd

Alexandria ALEX

Alex-ID: agm002179971 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
EuCd2Pd
Alex-ID
agm002179971
Elements
3
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
188.86
ų
Cell a
4.3928
Å
Cell b
5.6547
Å
Cell c
8.2529
Å
α angle
90.00
°
β angle
90.00
°
γ angle
112.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuCd2Pd
Eu
2.00 · 25.0%
Pd
2.00 · 25.0%
Cd
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5133
eV/atom
Corrected total energy
-38.7348
eV
Raw total energy
-38.7348
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
5.1614
Total magnetisation
14.0596
μB

Additional Information

Prototype ID

ABC2_30_spg63

Decomposition

EuCd2Pd

Computed at

2018-09-02 18:05:03

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: agm002179971).

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 agm002179971
data_agm002179971
_cell_length_a     4.39284
_cell_length_b     5.65469
_cell_length_c     8.25287
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  112.88597
_cell_volume       188.86476
_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 0.93429 0.86840 0.25000 1.00000
  Eu2 Eu 0.06571 0.13160 0.75000 1.00000
  Pd1 Pd 0.77724 0.55552 0.75000 1.00000
  Pd2 Pd 0.22276 0.44448 0.25000 1.00000
  Cd1 Cd 0.35631 0.71295 0.55355 1.00000
  Cd2 Cd 0.64369 0.28705 0.44645 1.00000
  Cd3 Cd 0.35631 0.71295 0.94645 1.00000
  Cd4 Cd 0.64369 0.28705 0.05355 1.00000
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