NpSi3Pt
Alexandria ALEXAlex-ID: agm003715744 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_3935_spg63
NpSi3 Np2Si5Pt3 Si
2022-04-17 22:20:03.706390
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003715744).
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 agm003715744
data_agm003715744
_cell_length_a 4.14739
_cell_length_b 6.20659
_cell_length_c 8.07226
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.62512
_cell_volume 195.71902
_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 0.99084 0.48204 0.75000 1.00000
Np2 Np 0.00916 0.51796 0.25000 1.00000
Si1 Si 0.40127 0.30563 0.00432 1.00000
Si2 Si 0.59873 0.69437 0.99568 1.00000
Si3 Si 0.40127 0.30563 0.49568 1.00000
Si4 Si 0.59873 0.69437 0.50432 1.00000
Si5 Si 0.29701 0.09459 0.75000 1.00000
Si6 Si 0.70299 0.90541 0.25000 1.00000
Pt1 Pt 0.70202 0.90567 0.75000 1.00000
Pt2 Pt 0.29798 0.09433 0.25000 1.00000
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