Np2Si3Ag
Alexandria ALEXAlex-ID: agm002240802 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_452_spg2
NpSi3 NpSi Ag
2023-03-26 20:25:01.148007
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002240802).
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 agm002240802
data_agm002240802
_cell_length_a 5.39882
_cell_length_b 5.81171
_cell_length_c 8.46966
_cell_angle_alpha 111.37681
_cell_angle_beta 113.13052
_cell_angle_gamma 67.56321
_cell_volume 218.56911
_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 0.77392 0.15276 0.47328 1.00000
Np2 Np 0.23223 0.85537 0.01428 1.00000
Np3 Np 0.22612 0.84731 0.52678 1.00000
Np4 Np 0.76777 0.14461 0.98567 1.00000
Si1 Si 0.29432 0.39182 0.17374 1.00000
Si2 Si 0.14270 0.24803 0.84854 1.00000
Si3 Si 0.70571 0.60822 0.82625 1.00000
Si4 Si 0.85730 0.75202 0.15147 1.00000
Si5 Si 0.17281 0.21109 0.34473 1.00000
Si6 Si 0.82723 0.78891 0.65525 1.00000
Ag1 Ag 0.69496 0.59015 0.32302 1.00000
Ag2 Ag 0.30509 0.40986 0.67698 1.00000
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