Na3Sm5Cl16
Alexandria ALEXAlex-ID: agm008508789 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C16_28_spg8
Na4Sm2Cl9 Sm2Cl3 SmCl3
2024-05-27 15:32:18.970986
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008508789).
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 agm008508789
data_agm008508789
_cell_length_a 8.29894
_cell_length_b 8.29894
_cell_length_c 12.82108
_cell_angle_alpha 88.53787
_cell_angle_beta 88.53787
_cell_angle_gamma 56.72140
_cell_volume 737.90445
_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 0.84065 0.84065 0.77391 1.00000
Na2 Na 0.16266 0.66201 0.29525 1.00000
Na3 Na 0.66201 0.16266 0.29525 1.00000
Sm1 Sm 0.37214 0.80628 0.78807 1.00000
Sm2 Sm 0.67125 0.67125 0.53026 1.00000
Sm3 Sm 0.80628 0.37214 0.78807 1.00000
Sm4 Sm 0.16355 0.16355 0.28711 1.00000
Sm5 Sm 0.33643 0.33643 0.01888 1.00000
Cl1 Cl 0.34534 0.83031 0.40459 1.00000
Cl2 Cl 0.50344 0.50344 0.64207 1.00000
Cl3 Cl 0.68504 0.68504 0.91238 1.00000
Cl4 Cl 0.01404 0.01404 0.68415 1.00000
Cl5 Cl 0.00646 0.00646 0.18573 1.00000
Cl6 Cl 0.83031 0.34534 0.40459 1.00000
Cl7 Cl 0.49393 0.98701 0.65485 1.00000
Cl8 Cl 0.98701 0.49393 0.65485 1.00000
Cl9 Cl 0.17359 0.17359 0.90163 1.00000
Cl10 Cl 0.82365 0.82365 0.41059 1.00000
Cl11 Cl 0.02292 0.47480 0.15104 1.00000
Cl12 Cl 0.47480 0.02292 0.15104 1.00000
Cl13 Cl 0.31442 0.31442 0.39930 1.00000
Cl14 Cl 0.17365 0.66521 0.90050 1.00000
Cl15 Cl 0.47139 0.47139 0.14981 1.00000
Cl16 Cl 0.66521 0.17365 0.90050 1.00000
