Sm2CdSe4
Alexandria ALEXAlex-ID: agm005248944 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_905_spg9
Sm2Se3 CdSe
2023-05-06 20:25:54.366207
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248944).
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 agm005248944
data_agm005248944
_cell_length_a 7.72655
_cell_length_b 7.72655
_cell_length_c 7.72655
_cell_angle_alpha 110.57745
_cell_angle_beta 110.57745
_cell_angle_gamma 107.28072
_cell_volume 354.69914
_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
Sm1 Sm 0.87500 0.48423 0.10923 1.00000
Sm2 Sm 0.23423 0.12500 0.60923 1.00000
Sm3 Sm 0.37500 0.76577 0.89077 1.00000
Sm4 Sm 0.51577 0.62500 0.39077 1.00000
Cd1 Cd 0.75000 0.25000 0.50000 1.00000
Cd2 Cd 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.62978 0.00321 0.76291 1.00000
Se2 Se 0.61687 0.49030 0.73709 1.00000
Se3 Se 0.13313 0.37022 0.37343 1.00000
Se4 Se 0.75321 0.87978 0.26291 1.00000
Se5 Se 0.12022 0.38313 0.87343 1.00000
Se6 Se 0.50970 0.24679 0.12657 1.00000
Se7 Se 0.99679 0.75970 0.62657 1.00000
Se8 Se 0.24030 0.86687 0.23709 1.00000
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