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Eu2N

Alexandria ALEX

Alex-ID: agm003211536 · Space group: Fd-3m (#227)

Basic Information

Formula
Eu2N
Alex-ID
agm003211536
Elements
2
Sites
12
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
292.74
ų
Cell a
7.4530
Å
Cell b
7.4530
Å
Cell c
7.4530
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2N
Eu
8.00 · 66.7%
N
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0284
eV/atom
Formation energy
-0.8478
eV/atom
Corrected total energy
-124.1789
eV
Raw total energy
-124.1789
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
31.3959
Total magnetisation
59.1650
μB

Additional Information

Prototype ID

AB2_113_spg109

Decomposition

Eu2N

Computed at

2021-12-04 09:07:11.106567

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: agm003211536).

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 agm003211536
data_agm003211536
_cell_length_a     7.45301
_cell_length_b     7.45301
_cell_length_c     7.45301
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       292.73876
_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 0.38467 0.84598 0.38467 1.00000
  Eu2 Eu 0.84598 0.38467 0.38467 1.00000
  Eu3 Eu 0.86533 0.86533 0.86533 1.00000
  Eu4 Eu 0.40402 0.86533 0.86533 1.00000
  Eu5 Eu 0.86533 0.40402 0.86533 1.00000
  Eu6 Eu 0.86533 0.86533 0.40402 1.00000
  Eu7 Eu 0.38467 0.38467 0.38467 1.00000
  Eu8 Eu 0.38467 0.38467 0.84598 1.00000
  N1 N 0.12500 0.62500 0.62500 1.00000
  N2 N 0.62500 0.12500 0.62500 1.00000
  N3 N 0.62500 0.62500 0.12500 1.00000
  N4 N 0.62500 0.62500 0.62500 1.00000
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