EuNb8O14
Alexandria ALEXAlex-ID: agm006228982 · Space group: Pbam (#55)
Basic Information
Formula
EuNb8O14
Alex-ID
agm006228982
Elements
3
Sites
46
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
585.03
ų
Cell a
6.0235
Å
Cell b
9.3291
Å
Cell c
10.4110
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
EuNb8O14
Eu
2.00 · 4.3%
Nb
16.00 · 34.8%
O
28.00 · 60.9%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-2.8569
eV/atom
Corrected total energy
-451.9142
eV
Raw total energy
-432.2501
eV
Electronic Structure
Indirect band gap
0.1255
eV
Direct band gap
0.1474
eV
DOS at Fermi level
34.3340
Total magnetisation
13.7791
μB
Additional Information
Prototype ID
AB8C14_2_spg55
Decomposition
EuNb8O14
Computed at
2024-10-29 22:51:56
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: agm006228982).
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
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm006228982
data_agm006228982
_cell_length_a 6.02353
_cell_length_b 9.32906
_cell_length_c 10.41098
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 585.03346
_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 0.50000 0.50000 0.00000 1.00000
Eu2 Eu 0.50000 0.00000 0.50000 1.00000
Nb1 Nb 0.00000 0.38466 0.16404 1.00000
Nb2 Nb 0.00000 0.61534 0.83596 1.00000
Nb3 Nb 0.00000 0.88466 0.33596 1.00000
Nb4 Nb 0.00000 0.11534 0.66404 1.00000
Nb5 Nb 0.50000 0.37997 0.66439 1.00000
Nb6 Nb 0.50000 0.62003 0.33561 1.00000
Nb7 Nb 0.50000 0.87997 0.83561 1.00000
Nb8 Nb 0.50000 0.12003 0.16439 1.00000
Nb9 Nb 0.73160 0.62590 0.57669 1.00000
Nb10 Nb 0.73160 0.37410 0.42331 1.00000
Nb11 Nb 0.26840 0.12590 0.92331 1.00000
Nb12 Nb 0.26840 0.87410 0.07669 1.00000
Nb13 Nb 0.26840 0.37410 0.42331 1.00000
Nb14 Nb 0.26840 0.62590 0.57669 1.00000
Nb15 Nb 0.73160 0.87410 0.07669 1.00000
Nb16 Nb 0.73160 0.12590 0.92331 1.00000
O1 O 0.74543 0.50450 0.75297 1.00000
O2 O 0.74543 0.49550 0.24703 1.00000
O3 O 0.25457 0.00450 0.74703 1.00000
O4 O 0.25457 0.99550 0.25297 1.00000
O5 O 0.25457 0.49550 0.24703 1.00000
O6 O 0.25457 0.50450 0.75297 1.00000
O7 O 0.74543 0.99550 0.25297 1.00000
O8 O 0.74543 0.00450 0.74703 1.00000
O9 O 0.25607 0.73768 0.91407 1.00000
O10 O 0.25607 0.26232 0.08593 1.00000
O11 O 0.74393 0.23768 0.58593 1.00000
O12 O 0.74393 0.76232 0.41407 1.00000
O13 O 0.74393 0.26232 0.08593 1.00000
O14 O 0.74393 0.73768 0.91407 1.00000
O15 O 0.25607 0.76232 0.41407 1.00000
O16 O 0.25607 0.23768 0.58593 1.00000
O17 O 0.00000 0.50000 0.00000 1.00000
O18 O 0.00000 0.00000 0.50000 1.00000
O19 O 0.00000 0.23514 0.82067 1.00000
O20 O 0.00000 0.76486 0.17933 1.00000
O21 O 0.00000 0.73514 0.67933 1.00000
O22 O 0.00000 0.26486 0.32067 1.00000
O23 O 0.50000 0.23367 0.35029 1.00000
O24 O 0.50000 0.76633 0.64971 1.00000
O25 O 0.50000 0.73367 0.14971 1.00000
O26 O 0.50000 0.26633 0.85029 1.00000
O27 O 0.00000 0.00000 0.00000 1.00000
O28 O 0.00000 0.50000 0.50000 1.00000
