Navigation

HEAS Data Platform · Materials Science Database

Eu5P3

Alexandria ALEX

Alex-ID: agm075772403 · Space group: P6_3/mcm (#193)

Basic Information

Formula
Eu5P3
Alex-ID
agm075772403
Elements
2
Sites
16
Space group
P6_3/mcm (#193)
Crystal system
hexagonal
Volume
431.43
ų
Cell a
8.6058
Å
Cell b
8.6058
Å
Cell c
6.7266
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu5P3
Eu
10.00 · 62.5%
P
6.00 · 37.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-1.0722
eV/atom
Corrected total energy
-152.3586
eV
Raw total energy
-152.3586
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0079
eV
DOS at Fermi level
56.1668
Total magnetisation
71.9704
μB

Additional Information

Prototype ID

A3B5_6_spg193

Decomposition

Eu5P3

Computed at

2025-01-10 02:06:15

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: agm075772403).

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 agm075772403
data_agm075772403
_cell_length_a     8.60579
_cell_length_b     8.60579
_cell_length_c     6.72663
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       431.42982
_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 0.26078 0.25000 1.00000
  Eu2 Eu 0.00000 0.73922 0.75000 1.00000
  Eu3 Eu 0.73922 0.00000 0.75000 1.00000
  Eu4 Eu 0.26078 0.00000 0.25000 1.00000
  Eu5 Eu 0.73922 0.73922 0.25000 1.00000
  Eu6 Eu 0.26078 0.26078 0.75000 1.00000
  Eu7 Eu 0.33333 0.66667 0.50000 1.00000
  Eu8 Eu 0.66667 0.33333 0.50000 1.00000
  Eu9 Eu 0.66667 0.33333 0.00000 1.00000
  Eu10 Eu 0.33333 0.66667 0.00000 1.00000
  P1 P 0.00000 0.38725 0.75000 1.00000
  P2 P 0.00000 0.61275 0.25000 1.00000
  P3 P 0.61275 0.00000 0.25000 1.00000
  P4 P 0.38725 0.00000 0.75000 1.00000
  P5 P 0.61275 0.61275 0.75000 1.00000
  P6 P 0.38725 0.38725 0.25000 1.00000
Get direct link