Sm4AuCl5
Alexandria ALEXAlex-ID: agm006123750 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_9_spg12
Sm2Cl3 SmAu SmCl3
2023-10-10 22:17:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123750).
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 agm006123750
data_agm006123750
_cell_length_a 4.00451
_cell_length_b 8.56044
_cell_length_c 9.27104
_cell_angle_alpha 102.94793
_cell_angle_beta 102.47239
_cell_angle_gamma 89.99999
_cell_volume 302.03313
_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 0.66156 0.08459 0.32312 1.00000
Sm2 Sm 0.00288 0.24032 0.00577 1.00000
Sm3 Sm 0.33844 0.91541 0.67688 1.00000
Sm4 Sm 0.99712 0.75968 0.99423 1.00000
Au1 Au 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.16722 0.32082 0.33444 1.00000
Cl2 Cl 0.17088 0.84516 0.34176 1.00000
Cl3 Cl 0.82912 0.15484 0.65824 1.00000
Cl4 Cl 0.50000 0.50000 0.00000 1.00000
Cl5 Cl 0.83278 0.67918 0.66556 1.00000
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