CeNd2Se3
Alexandria ALEXAlex-ID: agm039083595 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
CeNdSe2 CeNd4Se5
2024-12-12 01:04:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039083595).
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 agm039083595
data_agm039083595
_cell_length_a 13.97420
_cell_length_b 13.32168
_cell_length_c 7.31729
_cell_angle_alpha 79.43914
_cell_angle_beta 69.57955
_cell_angle_gamma 30.98131
_cell_volume 637.90107
_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 0.91694 0.91694 0.08306 1.00000
Ce2 Ce 0.33306 0.33306 0.16694 1.00000
Ce3 Ce 0.16694 0.16694 0.33306 1.00000
Ce4 Ce 0.08306 0.08306 0.91694 1.00000
Nd1 Nd 0.99932 0.99932 0.50068 1.00000
Nd2 Nd 0.41786 0.41786 0.58214 1.00000
Nd3 Nd 0.83214 0.83214 0.66786 1.00000
Nd4 Nd 0.25068 0.25068 0.74932 1.00000
Nd5 Nd 0.74932 0.74932 0.25068 1.00000
Nd6 Nd 0.66786 0.66786 0.83214 1.00000
Nd7 Nd 0.58214 0.58214 0.41786 1.00000
Nd8 Nd 0.50068 0.50068 0.99932 1.00000
Se1 Se 0.66573 0.16633 0.83602 1.00000
Se2 Se 0.16633 0.66573 0.33191 1.00000
Se3 Se 0.58427 0.08367 0.41398 1.00000
Se4 Se 0.08367 0.58427 0.91809 1.00000
Se5 Se 0.49713 0.00287 0.00287 1.00000
Se6 Se 0.00287 0.49713 0.49713 1.00000
Se7 Se 0.91809 0.41398 0.08367 1.00000
Se8 Se 0.41398 0.91809 0.58427 1.00000
Se9 Se 0.33191 0.83602 0.16633 1.00000
Se10 Se 0.83602 0.33191 0.66573 1.00000
Se11 Se 0.75287 0.24713 0.24713 1.00000
Se12 Se 0.24713 0.75287 0.75287 1.00000
