SrNdIO2
Alexandria ALEXAlex-ID: agm005010288 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1922_spg11
Sr2I2O Nd2O3
2022-07-04 22:31:12.107843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010288).
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 agm005010288
data_agm005010288
_cell_length_a 4.37098
_cell_length_b 7.41264
_cell_length_c 8.35257
_cell_angle_alpha 105.92876
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 260.23643
_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 0.25000 0.65058 0.91557 1.00000
Sr2 Sr 0.75000 0.34942 0.08443 1.00000
Nd1 Nd 0.25000 0.64289 0.40696 1.00000
Nd2 Nd 0.75000 0.35711 0.59304 1.00000
I1 I 0.25000 0.03839 0.74642 1.00000
I2 I 0.75000 0.96161 0.25358 1.00000
O1 O 0.75000 0.52498 0.39640 1.00000
O2 O 0.25000 0.47502 0.60360 1.00000
O3 O 0.75000 0.50526 0.86134 1.00000
O4 O 0.25000 0.49474 0.13866 1.00000
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