NpCd2O5
Alexandria ALEXAlex-ID: agm005877482 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1054_spg12
NpCd3O6 NpCdO4
2023-09-02 22:58:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877482).
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 agm005877482
data_agm005877482
_cell_length_a 4.15625
_cell_length_b 6.17089
_cell_length_c 6.17026
_cell_angle_alpha 97.21900
_cell_angle_beta 70.30611
_cell_angle_gamma 70.30997
_cell_volume 135.08068
_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
Np1 Np 0.06249 0.97213 0.97213 1.00000
Cd1 Cd 0.56231 0.65432 0.29027 1.00000
Cd2 Cd 0.56269 0.28993 0.65397 1.00000
O1 O 0.77413 0.26043 0.26014 1.00000
O2 O 0.06277 0.19943 0.74429 1.00000
O3 O 0.06221 0.74483 0.19996 1.00000
O4 O 0.35089 0.68382 0.68411 1.00000
O5 O 0.56250 0.97212 0.97212 1.00000
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