Cs3Ac(SmSe3)2
Alexandria ALEXAlex-ID: agm033443829 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
CsSmSe2 CsAcSe2
2025-02-06 13:21:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033443829).
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 agm033443829
data_agm033443829
_cell_length_a 10.81601
_cell_length_b 10.81601
_cell_length_c 9.86762
_cell_angle_alpha 69.25840
_cell_angle_beta 110.74160
_cell_angle_gamma 156.26917
_cell_volume 433.07970
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
Cs2 Cs 0.16582 0.83418 0.83131 1.00000
Cs3 Cs 0.83418 0.16582 0.16869 1.00000
Ac1 Ac 0.50000 0.50000 0.00000 1.00000
Sm1 Sm 0.16964 0.83036 0.33805 1.00000
Sm2 Sm 0.83036 0.16964 0.66195 1.00000
Se1 Se 0.65879 0.34121 0.12629 1.00000
Se2 Se 0.31936 0.68064 0.45198 1.00000
Se3 Se 0.34121 0.65879 0.87371 1.00000
Se4 Se 0.98190 0.01810 0.76910 1.00000
Se5 Se 0.01810 0.98190 0.23090 1.00000
Se6 Se 0.68064 0.31936 0.54802 1.00000
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