La2Ce3NdSe6
Alexandria ALEXAlex-ID: agm034140570 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Ce4NdSe5 La3CeSe4 La4NdSe5
2024-12-12 01:44:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034140570).
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 agm034140570
data_agm034140570
_cell_length_a 9.49503
_cell_length_b 9.49503
_cell_length_c 8.51226
_cell_angle_alpha 77.17553
_cell_angle_beta 102.82447
_cell_angle_gamma 154.22002
_cell_volume 324.99904
_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
La1 La 0.16548 0.83452 0.83258 1.00000
La2 La 0.83452 0.16548 0.16742 1.00000
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Ce2 Ce 0.83257 0.16743 0.66405 1.00000
Ce3 Ce 0.16743 0.83257 0.33595 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.66592 0.33408 0.08867 1.00000
Se2 Se 0.33374 0.66626 0.42040 1.00000
Se3 Se 0.33408 0.66592 0.91133 1.00000
Se4 Se 0.00239 0.99761 0.25228 1.00000
Se5 Se 0.99761 0.00239 0.74772 1.00000
Se6 Se 0.66626 0.33374 0.57960 1.00000
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