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Eu5Pt2

Alexandria ALEX

Alex-ID: agm005259013 · Space group: C2/c (#15)

Basic Information

Formula
Eu5Pt2
Alex-ID
agm005259013
Elements
2
Sites
14
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
435.62
ų
Cell a
8.9996
Å
Cell b
8.9996
Å
Cell c
7.7712
Å
α angle
83.09
°
β angle
83.09
°
γ angle
44.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu5Pt2
Eu
10.00 · 71.4%
Pt
4.00 · 28.6%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6946
eV/atom
Corrected total energy
-136.8212
eV
Raw total energy
-136.8213
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0186
eV
DOS at Fermi level
63.8283
Total magnetisation
72.2684
μB

Additional Information

Prototype ID

A2B5_42_spg15

Decomposition

Eu5Pt2

Computed at

2022-12-12 14:43:09.483128

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: agm005259013).

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 agm005259013
data_agm005259013
_cell_length_a     8.99963
_cell_length_b     8.99963
_cell_length_c     7.77119
_cell_angle_alpha  83.09482
_cell_angle_beta   83.09482
_cell_angle_gamma  44.26707
_cell_volume       435.61787
_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 0.01911 0.79957 0.42088 1.00000
  Eu2 Eu 0.20043 0.98089 0.07912 1.00000
  Eu3 Eu 0.98089 0.20043 0.57912 1.00000
  Eu4 Eu 0.79957 0.01911 0.92088 1.00000
  Eu5 Eu 0.36294 0.20131 0.31731 1.00000
  Eu6 Eu 0.79869 0.63706 0.18269 1.00000
  Eu7 Eu 0.63706 0.79869 0.68269 1.00000
  Eu8 Eu 0.20131 0.36294 0.81731 1.00000
  Eu9 Eu 0.57807 0.42193 0.25000 1.00000
  Eu10 Eu 0.42193 0.57807 0.75000 1.00000
  Pt1 Pt 0.18300 0.59649 0.08125 1.00000
  Pt2 Pt 0.40351 0.81700 0.41875 1.00000
  Pt3 Pt 0.81700 0.40351 0.91875 1.00000
  Pt4 Pt 0.59649 0.18300 0.58125 1.00000
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