Ce2SmCuSe5
Alexandria ALEXAlex-ID: agm005155993 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_248_spg36
Sm2Se3 CeSe2 Ce3Se5 Cu
2023-03-25 09:15:06.388620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155993).
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 agm005155993
data_agm005155993
_cell_length_a 4.05959
_cell_length_b 8.96471
_cell_length_c 12.46602
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.08642
_cell_volume 441.89398
_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 0.88852 0.77705 0.84839 1.00000
Ce2 Ce 0.11716 0.23431 0.69384 1.00000
Ce3 Ce 0.11148 0.22295 0.34839 1.00000
Ce4 Ce 0.88284 0.76569 0.19384 1.00000
Sm1 Sm 0.82238 0.64476 0.52623 1.00000
Sm2 Sm 0.17762 0.35524 0.02623 1.00000
Cu1 Cu 0.55216 0.10431 0.92217 1.00000
Cu2 Cu 0.44784 0.89569 0.42217 1.00000
Se1 Se 0.34508 0.69016 0.01981 1.00000
Se2 Se 0.68638 0.37275 0.85658 1.00000
Se3 Se 0.49472 0.98944 0.74749 1.00000
Se4 Se 0.30290 0.60579 0.69329 1.00000
Se5 Se 0.98669 0.97338 0.51616 1.00000
Se6 Se 0.65492 0.30984 0.51981 1.00000
Se7 Se 0.31362 0.62725 0.35658 1.00000
Se8 Se 0.50528 0.01056 0.24749 1.00000
Se9 Se 0.69710 0.39421 0.19329 1.00000
Se10 Se 0.01331 0.02662 0.01616 1.00000
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