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Eu7Pd3

Alexandria ALEX

Alex-ID: agm078897940 · Space group: P6_3mc (#186)

Alexandria Database API

Basic Information

Formula
Eu7Pd3
Alex-ID
agm078897940
Elements
2
Sites
20
Space group
P6_3mc (#186)
Crystal system
hexagonal
Volume
628.51
ų
Cell a
10.4828
Å
Cell b
10.4828
Å
Cell c
6.6043
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu7Pd3
Eu
14.00 · 70.0%
Pd
6.00 · 30.0%

Energy & Stability

Energy above hull
0.0011
eV/atom
Formation energy
-0.4799
eV/atom
Corrected total energy
-184.5967
eV
Raw total energy
-184.5967
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
129.4209
Total magnetisation
-72.5671
μB

Additional Information

Prototype ID

A3B7_3_spg186

Decomposition

Eu3Pd Eu3Pd2

Computed at

2025-01-12 23:14:16

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: agm078897940).

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 agm078897940
data_agm078897940
_cell_length_a     10.48281
_cell_length_b     10.48281
_cell_length_c     6.60425
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       628.50612
_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 0.08039 0.54020 0.72082 1.00000
  Eu2 Eu 0.54020 0.08039 0.22082 1.00000
  Eu3 Eu 0.45980 0.54020 0.72082 1.00000
  Eu4 Eu 0.91961 0.45980 0.22082 1.00000
  Eu5 Eu 0.45980 0.91961 0.72082 1.00000
  Eu6 Eu 0.54020 0.45980 0.22082 1.00000
  Eu7 Eu 0.12519 0.25039 0.42814 1.00000
  Eu8 Eu 0.87481 0.12519 0.92814 1.00000
  Eu9 Eu 0.74961 0.87481 0.42814 1.00000
  Eu10 Eu 0.87481 0.74961 0.92814 1.00000
  Eu11 Eu 0.12519 0.87481 0.42814 1.00000
  Eu12 Eu 0.25039 0.12519 0.92814 1.00000
  Eu13 Eu 0.33333 0.66667 0.20689 1.00000
  Eu14 Eu 0.66667 0.33333 0.70689 1.00000
  Pd1 Pd 0.18912 0.37823 0.99204 1.00000
  Pd2 Pd 0.81088 0.18912 0.49204 1.00000
  Pd3 Pd 0.62177 0.81088 0.99204 1.00000
  Pd4 Pd 0.81088 0.62177 0.49204 1.00000
  Pd5 Pd 0.18912 0.81088 0.99204 1.00000
  Pd6 Pd 0.37823 0.18912 0.49204 1.00000
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