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Eu2AlNO3

Alexandria ALEX

Alex-ID: agm005486479 · Space group: I4mm (#107)

Alexandria Database API

Basic Information

Formula
Eu2AlNO3
Alex-ID
agm005486479
Elements
4
Sites
7
Space group
I4mm (#107)
Crystal system
tetragonal
Volume
86.33
ų
Cell a
6.7551
Å
Cell b
6.7551
Å
Cell c
6.7551
Å
α angle
147.99
°
β angle
147.99
°
γ angle
45.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2AlNO3
Eu
2.00 · 28.6%
Al
1.00 · 14.3%
N
1.00 · 14.3%
O
3.00 · 42.9%

Energy & Stability

Energy above hull
0.1335
eV/atom
Formation energy
-2.6971
eV/atom
Corrected total energy
-66.0010
eV
Raw total energy
-63.8941
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0130
eV
DOS at Fermi level
9.4273
Total magnetisation
-12.0000
μB

Additional Information

Prototype ID

ABC2D3_2_spg71

Decomposition

Eu3AlO5 EuN2 Eu3Al2O7 AlN

Computed at

2023-03-18 00:27:48.542351

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: agm005486479).

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 agm005486479
data_agm005486479
_cell_length_a     6.75509
_cell_length_b     6.75509
_cell_length_c     6.75509
_cell_angle_alpha  147.98702
_cell_angle_beta   147.98702
_cell_angle_gamma  45.90453
_cell_volume       86.32820
_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 0.51965 0.51965 0.00000 1.00000
  Eu2 Eu 0.80738 0.80738 0.00000 1.00000
  Al1 Al 0.16527 0.16527 0.00000 1.00000
  N1 N 0.99696 0.99696 0.00000 1.00000
  O1 O 0.16733 0.66733 0.50000 1.00000
  O2 O 0.66733 0.16733 0.50000 1.00000
  O3 O 0.32878 0.32878 0.00000 1.00000
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