Sm3AsCl3
Alexandria ALEXAlex-ID: agm005920751 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_146_spg148
Sm2Cl3 Sm2AsCl2 Sm
2023-08-04 19:55:09.779846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005920751).
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 agm005920751
data_agm005920751
_cell_length_a 7.02705
_cell_length_b 7.02705
_cell_length_c 10.96332
_cell_angle_alpha 71.30805
_cell_angle_beta 71.30805
_cell_angle_gamma 60.00000
_cell_volume 435.55011
_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 0.38907 0.71739 0.84030 1.00000
Sm2 Sm 0.71739 0.05324 0.84030 1.00000
Sm3 Sm 0.05324 0.38907 0.84030 1.00000
Sm4 Sm 0.94676 0.61093 0.15970 1.00000
Sm5 Sm 0.28261 0.94676 0.15970 1.00000
Sm6 Sm 0.61093 0.28261 0.15970 1.00000
As1 As 0.66667 0.66667 0.99999 1.00000
As2 As 0.33333 0.33333 0.00001 1.00000
Cl1 Cl 0.22558 0.56002 0.32163 1.00000
Cl2 Cl 0.89278 0.22558 0.32163 1.00000
Cl3 Cl 0.56002 0.89278 0.32163 1.00000
Cl4 Cl 0.43998 0.10722 0.67837 1.00000
Cl5 Cl 0.10722 0.77442 0.67837 1.00000
Cl6 Cl 0.77442 0.43998 0.67837 1.00000
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