Np3Si2Ag
Alexandria ALEXAlex-ID: agm033167910 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1919_spg62
Np2Si NpSi Ag
2025-04-14 23:36:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033167910).
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 agm033167910
data_agm033167910
_cell_length_a 9.57206
_cell_length_b 3.83098
_cell_length_c 12.18896
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00023
_cell_angle_gamma 90.00000
_cell_volume 446.97407
_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 0.55763 0.50000 0.95716 1.00000
Np2 Np 0.44238 0.00000 0.04289 1.00000
Np3 Np 0.05763 0.00000 0.54286 1.00000
Np4 Np 0.94236 0.50000 0.45713 1.00000
Np5 Np 0.26055 0.50000 0.73370 1.00000
Np6 Np 0.73943 0.00000 0.26627 1.00000
Np7 Np 0.76056 0.00000 0.76628 1.00000
Np8 Np 0.23944 0.50000 0.23373 1.00000
Np9 Np 0.63867 0.50000 0.68894 1.00000
Np10 Np 0.36134 0.00000 0.31105 1.00000
Np11 Np 0.13868 0.00000 0.81106 1.00000
Np12 Np 0.86132 0.50000 0.18893 1.00000
Si1 Si 0.26505 0.50000 0.47527 1.00000
Si2 Si 0.73496 0.00000 0.52473 1.00000
Si3 Si 0.76504 0.00000 0.02472 1.00000
Si4 Si 0.23496 0.50000 0.97528 1.00000
Si5 Si 0.96394 0.50000 0.70108 1.00000
Si6 Si 0.03605 0.00000 0.29892 1.00000
Si7 Si 0.46395 0.00000 0.79894 1.00000
Si8 Si 0.53606 0.50000 0.20107 1.00000
Ag1 Ag 0.91638 0.50000 0.93492 1.00000
Ag2 Ag 0.08362 0.00000 0.06509 1.00000
Ag3 Ag 0.41640 0.00000 0.56507 1.00000
Ag4 Ag 0.58359 0.50000 0.43491 1.00000
