Nd3SiSe2
Alexandria ALEXAlex-ID: agm017808956 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1840_spg65
Nd3SiSe2
2025-04-15 09:36:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017808956).
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 agm017808956
data_agm017808956
_cell_length_a 7.37727
_cell_length_b 7.37727
_cell_length_c 7.39545
_cell_angle_alpha 80.45286
_cell_angle_beta 99.54714
_cell_angle_gamma 59.96532
_cell_volume 328.69466
_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 0.73804 0.26196 0.23968 1.00000
Nd2 Nd 0.26196 0.73804 0.76032 1.00000
Nd3 Nd 0.07988 0.57852 0.23996 1.00000
Nd4 Nd 0.42148 0.92012 0.23996 1.00000
Nd5 Nd 0.57852 0.07988 0.76004 1.00000
Nd6 Nd 0.92012 0.42148 0.76004 1.00000
Si1 Si 0.66697 0.66697 0.00000 1.00000
Si2 Si 0.33303 0.33303 0.00000 1.00000
Se1 Se 0.50000 0.50000 0.50000 1.00000
Se2 Se 0.00000 0.00000 0.00000 1.00000
Se3 Se 0.83499 0.83499 0.50000 1.00000
Se4 Se 0.16501 0.16501 0.50000 1.00000
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