SrNd(FeO3)2
Alexandria ALEXAlex-ID: agm011337745 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_596_spg1
SrNd(FeO3)2
2024-08-24 23:59:44.665918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011337745).
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
@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…
# CIF generated by HEAS from Alexandria entry agm011337745
data_agm011337745
_cell_length_a 5.53015
_cell_length_b 5.53015
_cell_length_c 5.52224
_cell_angle_alpha 60.19881
_cell_angle_beta 60.19881
_cell_angle_gamma 89.74132
_cell_volume 120.39515
_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
Sr1 Sr 0.75168 0.75168 0.49733 1.00000
Nd1 Nd 0.23649 0.23649 0.50830 1.00000
Fe1 Fe 0.49905 0.99913 0.00042 1.00000
Fe2 Fe 0.99913 0.49905 0.00042 1.00000
O1 O 0.79534 0.22279 0.49956 1.00000
O2 O 0.21853 0.80286 0.97952 1.00000
O3 O 0.66556 0.66556 0.08016 1.00000
O4 O 0.30722 0.30722 0.95501 1.00000
O5 O 0.80286 0.21853 0.97952 1.00000
O6 O 0.22279 0.79534 0.49956 1.00000
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