ThNpSi4
Alexandria ALEXAlex-ID: agm069439166 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_579_spg44
NpSi3 ThSi2 NpSi
2025-04-16 04:26:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069439166).
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
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# CIF generated by HEAS from Alexandria entry agm069439166
data_agm069439166
_cell_length_a 7.67945
_cell_length_b 7.67945
_cell_length_c 7.67945
_cell_angle_alpha 149.43919
_cell_angle_beta 149.43919
_cell_angle_gamma 43.76524
_cell_volume 116.75588
_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
Th1 Th 0.25000 0.75000 0.50000 1.00000
Np1 Np 0.50000 0.50000 0.00000 1.00000
Si1 Si 0.91895 0.91895 0.00000 1.00000
Si2 Si 0.83551 0.33551 0.50000 1.00000
Si3 Si 0.08105 0.08105 0.00000 1.00000
Si4 Si 0.66449 0.16449 0.50000 1.00000
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