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Eu3In2Pd7

Alexandria ALEX

Alex-ID: agm101217853 · Space group: R-3m (#166)

Basic Information

Formula
Eu3In2Pd7
Alex-ID
agm101217853
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
247.58
ų
Cell a
9.3649
Å
Cell b
9.3649
Å
Cell c
9.3649
Å
α angle
35.51
°
β angle
35.51
°
γ angle
35.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu3In2Pd7
Eu
3.00 · 25.0%
In
2.00 · 16.7%
Pd
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0100
eV/atom
Formation energy
-0.6491
eV/atom
Corrected total energy
-80.5019
eV
Raw total energy
-80.5019
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0114
eV
DOS at Fermi level
34.4660
Total magnetisation
21.3939
μB

Additional Information

Prototype ID

A2B3C7_69_spg12

Decomposition

EuInPd2 EuPd2 In3Pd5

Computed at

2025-05-17 08:44:47

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: agm101217853).

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 agm101217853
data_agm101217853
_cell_length_a     9.36488
_cell_length_b     9.36488
_cell_length_c     9.36488
_cell_angle_alpha  35.50615
_cell_angle_beta   35.50615
_cell_angle_gamma  35.50615
_cell_volume       247.58107
_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 0.00000 0.00000 0.00000 1.00000
  Eu2 Eu 0.85969 0.85969 0.85969 1.00000
  Eu3 Eu 0.14031 0.14031 0.14031 1.00000
  In1 In 0.66681 0.66681 0.66681 1.00000
  In2 In 0.33319 0.33319 0.33319 1.00000
  Pd1 Pd 0.50000 0.50000 0.50000 1.00000
  Pd2 Pd 0.41613 0.41613 0.91783 1.00000
  Pd3 Pd 0.91783 0.41613 0.41613 1.00000
  Pd4 Pd 0.41613 0.91783 0.41613 1.00000
  Pd5 Pd 0.58387 0.58387 0.08217 1.00000
  Pd6 Pd 0.58387 0.08217 0.58387 1.00000
  Pd7 Pd 0.08217 0.58387 0.58387 1.00000
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