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Eu2F5

Alexandria ALEX

Alex-ID: agm078939299 · Space group: C2/c (#15)

Basic Information

Formula
Eu2F5
Alex-ID
agm078939299
Elements
2
Sites
14
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
196.79
ų
Cell a
7.2134
Å
Cell b
7.2134
Å
Cell c
5.7274
Å
α angle
66.92
°
β angle
113.08
°
γ angle
133.08
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2F5
Eu
4.00 · 28.6%
F
10.00 · 71.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-4.1539
eV/atom
Corrected total energy
-113.4575
eV
Raw total energy
-113.4575
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
61.7842
Total magnetisation
26.0000
μB

Additional Information

Prototype ID

A2B5_27_spg72

Decomposition

Eu2F5

Computed at

2025-01-09 09:15:07

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: agm078939299).

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 agm078939299
data_agm078939299
_cell_length_a     7.21343
_cell_length_b     7.21343
_cell_length_c     5.72738
_cell_angle_alpha  66.91583
_cell_angle_beta   113.08417
_cell_angle_gamma  133.07985
_cell_volume       196.78750
_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 0.62843 0.87190 0.84902 1.00000
  Eu2 Eu 0.37157 0.12810 0.15098 1.00000
  Eu3 Eu 0.87190 0.62843 0.65098 1.00000
  Eu4 Eu 0.12810 0.37157 0.34902 1.00000
  F1 F 0.06114 0.21628 0.99851 1.00000
  F2 F 0.93886 0.78372 0.00149 1.00000
  F3 F 0.21628 0.06114 0.50149 1.00000
  F4 F 0.78372 0.93886 0.49851 1.00000
  F5 F 0.73992 0.26959 0.51276 1.00000
  F6 F 0.26008 0.73041 0.48724 1.00000
  F7 F 0.26959 0.73992 0.98724 1.00000
  F8 F 0.73041 0.26008 0.01276 1.00000
  F9 F 0.45360 0.45360 0.75000 1.00000
  F10 F 0.54640 0.54640 0.25000 1.00000
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