Sm4Sb2Se
Alexandria ALEXAlex-ID: agm005987362 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_39_spg122
Sm5SbSe4 Sm4Sb3Se Sm5Sb3
2023-10-15 22:30:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005987362).
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 agm005987362
data_agm005987362
_cell_length_a 8.00068
_cell_length_b 8.00068
_cell_length_c 8.00068
_cell_angle_alpha 110.29399
_cell_angle_beta 107.83792
_cell_angle_gamma 110.29399
_cell_volume 393.99865
_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 0.77099 0.26429 0.89098 1.00000
Sm2 Sm 0.97901 0.61999 0.74330 1.00000
Sm3 Sm 0.62669 0.73571 0.50670 1.00000
Sm4 Sm 0.12331 0.38001 0.35902 1.00000
Sm5 Sm 0.49330 0.11999 0.22901 1.00000
Sm6 Sm 0.64098 0.76429 0.02099 1.00000
Sm7 Sm 0.25670 0.23571 0.87669 1.00000
Sm8 Sm 0.10902 0.88001 0.37331 1.00000
Sb1 Sb 0.37500 0.86583 0.74083 1.00000
Sb2 Sb 0.49083 0.36583 0.62500 1.00000
Sb3 Sb 0.87500 0.13417 0.50917 1.00000
Sb4 Sb 0.25917 0.63417 0.12500 1.00000
Se1 Se 0.75000 0.50000 0.25000 1.00000
Se2 Se 0.00000 0.00000 0.00000 1.00000
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