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Eu3HgPd2

Alexandria ALEX

Alex-ID: agm090550477 · Space group: P4/mmm (#123)

Basic Information

Formula
Eu3HgPd2
Alex-ID
agm090550477
Elements
3
Sites
6
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
154.02
ų
Cell a
3.7176
Å
Cell b
3.7176
Å
Cell c
11.1444
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu3HgPd2
Eu
3.00 · 50.0%
Hg
1.00 · 16.7%
Pd
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0262
eV/atom
Formation energy
-0.6032
eV/atom
Corrected total energy
-45.1893
eV
Raw total energy
-45.1893
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
28.9335
Total magnetisation
21.1397
μB

Additional Information

Prototype ID

AB2C3_125_spg123

Decomposition

EuHg EuPd

Computed at

2025-04-16 03:25:41

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: agm090550477).

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 agm090550477
data_agm090550477
_cell_length_a     3.71759
_cell_length_b     3.71759
_cell_length_c     11.14442
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       154.02114
_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 0.50000 0.50000 0.31526 1.00000
  Eu2 Eu 0.50000 0.50000 0.68474 1.00000
  Eu3 Eu 0.50000 0.50000 0.00000 1.00000
  Hg1 Hg 0.00000 0.00000 0.50000 1.00000
  Pd1 Pd 0.00000 0.00000 0.15839 1.00000
  Pd2 Pd 0.00000 0.00000 0.84161 1.00000
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