Sm6P5S
Alexandria ALEXAlex-ID: agm006124530 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_83_spg12
Sm6P5S
2023-09-03 11:52:56.919583
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124530).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006124530
data_agm006124530
_cell_length_a 7.09323
_cell_length_b 7.09154
_cell_length_c 7.08838
_cell_angle_alpha 59.98525
_cell_angle_beta 80.41466
_cell_angle_gamma 70.55606
_cell_volume 291.13552
_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
P1 P 0.50000 0.16609 0.66782 1.00000
P2 P 0.00000 0.33314 0.33373 1.00000
P3 P 0.50000 0.50000 0.00000 1.00000
P4 P 1.00000 0.66686 0.66627 1.00000
P5 P 0.50000 0.83391 0.33218 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.74815 0.08399 0.33648 1.00000
Sm2 Sm 0.25185 0.57953 0.33648 1.00000
Sm3 Sm 0.25251 0.25235 1.00000 1.00000
Sm4 Sm 0.74749 0.74765 0.00000 1.00000
Sm5 Sm 0.74815 0.42047 0.66352 1.00000
Sm6 Sm 0.25185 0.91601 0.66352 1.00000
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