Nd2Si2Se
Alexandria ALEXAlex-ID: agm035979160 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2252_spg12
Nd2Si2Se
2025-04-01 19:36:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035979160).
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 agm035979160
data_agm035979160
_cell_length_a 8.24663
_cell_length_b 8.24663
_cell_length_c 8.24663
_cell_angle_alpha 28.91342
_cell_angle_beta 28.91342
_cell_angle_gamma 28.91342
_cell_volume 115.94162
_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
Nd1 Nd 0.41469 0.41469 0.41469 1.00000
Nd2 Nd 0.58531 0.58531 0.58531 1.00000
Si1 Si 0.16928 0.16928 0.16928 1.00000
Si2 Si 0.83072 0.83072 0.83072 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
