NpCd2(NiO3)2
Alexandria ALEXAlex-ID: agm004580933 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
NpCd3O6 NpCdO4 Ni NiO
2022-06-24 18:31:38.508234
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004580933).
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 agm004580933
data_agm004580933
_cell_length_a 5.50462
_cell_length_b 5.50462
_cell_length_c 5.86638
_cell_angle_alpha 100.05252
_cell_angle_beta 100.05252
_cell_angle_gamma 119.46611
_cell_volume 145.18602
_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 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.82611 0.17389 0.00000 1.00000
Cd2 Cd 0.17389 0.82611 0.00000 1.00000
Ni1 Ni 0.33519 0.66481 0.50000 1.00000
Ni2 Ni 0.66481 0.33519 0.50000 1.00000
O1 O 0.74203 0.74203 0.70881 1.00000
O2 O 0.05869 0.41543 0.71152 1.00000
O3 O 0.25797 0.25797 0.29119 1.00000
O4 O 0.41543 0.05869 0.71152 1.00000
O5 O 0.94131 0.58457 0.28848 1.00000
O6 O 0.58457 0.94131 0.28848 1.00000
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