Nd4UO10
Alexandria ALEXAlex-ID: agm005995000 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
Nd2UO6 NdO2
2023-08-08 10:09:30.483090
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995000).
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 agm005995000
data_agm005995000
_cell_length_a 5.50996
_cell_length_b 6.82549
_cell_length_c 6.82549
_cell_angle_alpha 80.62368
_cell_angle_beta 66.19462
_cell_angle_gamma 66.19462
_cell_volume 214.87393
_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 0.40044 0.80033 0.39879 1.00000
Nd2 Nd 0.79923 0.60121 0.80033 1.00000
Nd3 Nd 0.20077 0.39879 0.19967 1.00000
Nd4 Nd 0.59956 0.19967 0.60121 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
O1 O 0.25000 0.50000 0.50000 1.00000
O2 O 0.67310 0.27905 0.91012 1.00000
O3 O 0.04785 0.08988 0.27905 1.00000
O4 O 0.41678 0.91012 0.72095 1.00000
O5 O 0.86227 0.72095 0.08988 1.00000
O6 O 0.32690 0.72095 0.08988 1.00000
O7 O 0.75000 0.50000 0.50000 1.00000
O8 O 0.13773 0.27905 0.91012 1.00000
O9 O 0.58322 0.08988 0.27905 1.00000
O10 O 0.95215 0.91012 0.72095 1.00000
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