Y2NpCdO6
Alexandria ALEXAlex-ID: agm004948151 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Y6NpO12 YNpO4 Cd CdO
2022-07-31 15:45:11.183269
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004948151).
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
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# CIF generated by HEAS from Alexandria entry agm004948151
data_agm004948151
_cell_length_a 5.84617
_cell_length_b 5.84621
_cell_length_c 6.13289
_cell_angle_alpha 61.53356
_cell_angle_beta 61.53324
_cell_angle_gamma 59.99934
_cell_volume 151.55845
_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
Y1 Y 0.52594 0.52594 0.42219 1.00000
Y2 Y 0.02052 0.02052 0.93845 1.00000
Np1 Np 0.31301 0.31301 0.06096 1.00000
Cd1 Cd 0.80357 0.80358 0.58928 1.00000
O1 O 0.61380 0.22198 0.24168 1.00000
O2 O 0.22198 0.92254 0.24168 1.00000
O3 O 0.92256 0.61380 0.24170 1.00000
O4 O 0.40316 0.70241 0.75974 1.00000
O5 O 0.70240 0.13465 0.75976 1.00000
O6 O 0.13465 0.40317 0.75978 1.00000
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