NpCd(GaO4)2
Alexandria ALEXAlex-ID: agm004887033 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
NpCdO4 CdO4 Ga2O3 NpO3
2023-01-03 00:54:11.866725
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004887033).
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 agm004887033
data_agm004887033
_cell_length_a 4.86602
_cell_length_b 4.86268
_cell_length_c 6.32623
_cell_angle_alpha 90.03765
_cell_angle_beta 89.96347
_cell_angle_gamma 91.00770
_cell_volume 149.66753
_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 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.50031 0.49968 0.74729 1.00000
Ga2 Ga 0.49969 0.50032 0.25271 1.00000
O1 O 0.20506 0.79381 0.22012 1.00000
O2 O 0.68958 0.69057 0.00001 1.00000
O3 O 0.79483 0.20632 0.21955 1.00000
O4 O 0.79494 0.20619 0.77988 1.00000
O5 O 0.31042 0.30943 0.99999 1.00000
O6 O 0.20517 0.79368 0.78045 1.00000
O7 O 0.67472 0.67594 0.50001 1.00000
O8 O 0.32528 0.32406 0.49999 1.00000
Get direct link