NpAuO4
Alexandria ALEXAlex-ID: agm005756643 · Space group: Pnna (#52)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3277_spg52
Au2O3 NpO3 Au
2023-07-31 05:47:24.605378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756643).
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 agm005756643
data_agm005756643
_cell_length_a 6.24746
_cell_length_b 6.22033
_cell_length_c 11.15792
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.89344
_cell_volume 433.55831
_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 0.25216 0.14519 0.99980 1.00000
Np2 Np 0.24784 0.35481 0.49980 1.00000
Np3 Np 0.75216 0.64519 0.50020 1.00000
Np4 Np 0.74784 0.85481 0.00020 1.00000
Au1 Au 0.89465 0.25051 0.75027 1.00000
Au2 Au 0.60535 0.24949 0.25027 1.00000
Au3 Au 0.39465 0.75051 0.74973 1.00000
Au4 Au 0.10535 0.74949 0.24973 1.00000
O1 O 0.34980 0.15336 0.60484 1.00000
O2 O 0.90820 0.08967 0.90730 1.00000
O3 O 0.59440 0.08963 0.09278 1.00000
O4 O 0.35908 0.34598 0.89395 1.00000
O5 O 0.14092 0.15402 0.39395 1.00000
O6 O 0.90560 0.41037 0.59278 1.00000
O7 O 0.59180 0.41033 0.40730 1.00000
O8 O 0.84980 0.65336 0.89516 1.00000
O9 O 0.15020 0.34664 0.10484 1.00000
O10 O 0.40820 0.58967 0.59270 1.00000
O11 O 0.09440 0.58963 0.40722 1.00000
O12 O 0.85908 0.84598 0.60605 1.00000
O13 O 0.64092 0.65402 0.10605 1.00000
O14 O 0.40560 0.91037 0.90722 1.00000
O15 O 0.09180 0.91033 0.09270 1.00000
O16 O 0.65020 0.84664 0.39516 1.00000
