Sm3P2Cl
Alexandria ALEXAlex-ID: agm034371344 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Sm6P5Cl Sm2PCl2 Sm
2025-04-15 07:51:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034371344).
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 agm034371344
data_agm034371344
_cell_length_a 13.57444
_cell_length_b 12.95062
_cell_length_c 7.12696
_cell_angle_alpha 79.30840
_cell_angle_beta 69.63306
_cell_angle_gamma 31.05854
_cell_volume 589.32330
_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 0.67385 0.16864 0.80384 1.00000
Sm2 Sm 0.16864 0.67385 0.35368 1.00000
Sm3 Sm 0.57615 0.08136 0.44616 1.00000
Sm4 Sm 0.08136 0.57615 0.89632 1.00000
Sm5 Sm 0.52356 0.97644 0.97644 1.00000
Sm6 Sm 0.97644 0.52356 0.52356 1.00000
Sm7 Sm 0.89632 0.44616 0.08136 1.00000
Sm8 Sm 0.44616 0.89632 0.57615 1.00000
Sm9 Sm 0.35368 0.80384 0.16864 1.00000
Sm10 Sm 0.80384 0.35368 0.67385 1.00000
Sm11 Sm 0.72644 0.27356 0.27356 1.00000
Sm12 Sm 0.27356 0.72644 0.72644 1.00000
P1 P 0.00298 0.00298 0.49702 1.00000
P2 P 0.41455 0.41455 0.58545 1.00000
P3 P 0.83545 0.83545 0.66455 1.00000
P4 P 0.24702 0.24702 0.75298 1.00000
P5 P 0.75298 0.75298 0.24702 1.00000
P6 P 0.66455 0.66455 0.83545 1.00000
P7 P 0.58545 0.58545 0.41455 1.00000
P8 P 0.49702 0.49702 0.00298 1.00000
Cl1 Cl 0.91761 0.91761 0.08239 1.00000
Cl2 Cl 0.33239 0.33239 0.16761 1.00000
Cl3 Cl 0.16761 0.16761 0.33239 1.00000
Cl4 Cl 0.08239 0.08239 0.91761 1.00000
