Np2Ag5O12
Alexandria ALEXAlex-ID: agm005646632 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_475_spg2
NpAgO4 AgO AgO5
2023-06-27 21:28:54.069275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646632).
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 agm005646632
data_agm005646632
_cell_length_a 6.85775
_cell_length_b 6.30776
_cell_length_c 10.55274
_cell_angle_alpha 104.32590
_cell_angle_beta 106.27312
_cell_angle_gamma 122.65552
_cell_volume 320.92662
_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 0.75901 0.00194 0.00933 1.00000
Np2 Np 0.24099 0.99806 0.99067 1.00000
Ag1 Ag 0.29135 0.58062 0.50729 1.00000
Ag2 Ag 0.47607 0.76670 0.26505 1.00000
Ag3 Ag 0.00000 0.00000 0.50000 1.00000
Ag4 Ag 0.52393 0.23330 0.73495 1.00000
Ag5 Ag 0.70865 0.41938 0.49271 1.00000
O1 O 0.01605 0.93734 0.10315 1.00000
O2 O 0.97659 0.60684 0.84296 1.00000
O3 O 0.50299 0.61520 0.86703 1.00000
O4 O 0.12130 0.78483 0.55735 1.00000
O5 O 0.61674 0.70114 0.45838 1.00000
O6 O 0.51064 0.07432 0.89696 1.00000
O7 O 0.48936 0.92568 0.10304 1.00000
O8 O 0.87870 0.21517 0.44265 1.00000
O9 O 0.38326 0.29886 0.54162 1.00000
O10 O 0.02341 0.39316 0.15704 1.00000
O11 O 0.49701 0.38480 0.13297 1.00000
O12 O 0.98395 0.06266 0.89685 1.00000
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