Na2SmCl6
Alexandria ALEXAlex-ID: agm003501583 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1452_spg12
NaCl5 Na3SmCl6 SmCl3
2022-02-28 16:55:08.437303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003501583).
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
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# CIF generated by HEAS from Alexandria entry agm003501583
data_agm003501583
_cell_length_a 4.26007
_cell_length_b 6.09034
_cell_length_c 11.34352
_cell_angle_alpha 85.59080
_cell_angle_beta 79.17700
_cell_angle_gamma 69.52859
_cell_volume 270.79978
_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
Na1 Na 0.29937 0.56152 0.83975 1.00000
Na2 Na 0.70063 0.43848 0.16025 1.00000
Sm1 Sm 0.00000 0.50000 0.50000 1.00000
Cl1 Cl 0.62821 0.77971 0.96386 1.00000
Cl2 Cl 0.37179 0.22029 0.03614 1.00000
Cl3 Cl 0.03209 0.66196 0.27386 1.00000
Cl4 Cl 0.32749 0.77295 0.57207 1.00000
Cl5 Cl 0.96791 0.33804 0.72614 1.00000
Cl6 Cl 0.67251 0.22705 0.42793 1.00000
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