NpSiTc
Alexandria ALEXAlex-ID: agm005684755 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_30_spg11
Np2Si Np4Si6Tc7 Np
2023-06-18 11:17:25.330565
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684755).
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 agm005684755
data_agm005684755
_cell_length_a 4.16831
_cell_length_b 4.34233
_cell_length_c 5.96122
_cell_angle_alpha 89.99751
_cell_angle_beta 110.46400
_cell_angle_gamma 89.99986
_cell_volume 101.08975
_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 0.68507 0.61553 0.83268 1.00000
Np2 Np 0.54503 0.11548 0.55295 1.00000
Si1 Si 0.24694 0.11548 0.95641 1.00000
Si2 Si 0.98316 0.61546 0.42923 1.00000
Tc1 Tc 0.36762 0.61545 0.19810 1.00000
Tc2 Tc 0.86248 0.11547 0.18753 1.00000
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