Ce2(NdSe2)3
Alexandria ALEXAlex-ID: agm005601734 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_239_spg12
Ce3Se4 Nd5Se6 CeSe
2023-06-12 22:43:06.943628
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005601734).
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 agm005601734
data_agm005601734
_cell_length_a 7.28264
_cell_length_b 7.27832
_cell_length_c 7.30258
_cell_angle_alpha 80.42894
_cell_angle_beta 70.58888
_cell_angle_gamma 59.98037
_cell_volume 316.10065
_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
Ce1 Ce 0.16621 0.66758 0.50000 1.00000
Ce2 Ce 0.83379 0.33242 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.33592 0.32816 0.00000 1.00000
Nd3 Nd 0.66408 0.67184 1.00000 1.00000
Se1 Se 0.41745 0.66772 0.74733 1.00000
Se2 Se 0.74965 1.00000 0.74340 1.00000
Se3 Se 0.08517 0.33228 0.74733 1.00000
Se4 Se 0.25035 0.00000 0.25660 1.00000
Se5 Se 0.58255 0.33228 0.25267 1.00000
Se6 Se 0.91483 0.66772 0.25267 1.00000
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