Nd4IO10
Alexandria ALEXAlex-ID: agm005994684 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
Nd6IO12 Nd(IO3)3 NdO2
2023-08-08 10:09:36.223733
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994684).
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 agm005994684
data_agm005994684
_cell_length_a 5.62430
_cell_length_b 6.74323
_cell_length_c 6.74323
_cell_angle_alpha 79.98439
_cell_angle_beta 65.35259
_cell_angle_gamma 65.35260
_cell_volume 211.26538
_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
Nd1 Nd 0.40188 0.79323 0.40301 1.00000
Nd2 Nd 0.80489 0.59699 0.79323 1.00000
Nd3 Nd 0.19511 0.40301 0.20677 1.00000
Nd4 Nd 0.59812 0.20677 0.59699 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
O1 O 0.25000 0.50000 0.50000 1.00000
O2 O 0.68280 0.27375 0.91979 1.00000
O3 O 0.04345 0.08021 0.27375 1.00000
O4 O 0.39741 0.91979 0.72625 1.00000
O5 O 0.87633 0.72625 0.08021 1.00000
O6 O 0.31720 0.72625 0.08021 1.00000
O7 O 0.75000 0.50000 0.50000 1.00000
O8 O 0.12367 0.27375 0.91979 1.00000
O9 O 0.60259 0.08021 0.27375 1.00000
O10 O 0.95655 0.91979 0.72625 1.00000
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