LiSm2S9
Alexandria ALEXAlex-ID: agm102003152 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_260_spg12
Li2S Sm10S19 LiS13
2025-05-20 02:10:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102003152).
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}
}
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# CIF generated by HEAS from Alexandria entry agm102003152
data_agm102003152
_cell_length_a 4.18406
_cell_length_b 8.50608
_cell_length_c 8.81843
_cell_angle_alpha 117.67492
_cell_angle_beta 93.51393
_cell_angle_gamma 89.21809
_cell_volume 277.38109
_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
Li1 Li 0.86011 0.94562 0.90209 1.00000
Sm1 Sm 0.37158 0.34767 0.71536 1.00000
Sm2 Sm 0.89658 0.72134 0.34846 1.00000
S1 S 0.35388 0.06556 0.83383 1.00000
S2 S 0.92092 0.49096 0.96863 1.00000
S3 S 0.14622 0.48128 0.47021 1.00000
S4 S 0.83943 0.60676 0.80489 1.00000
S5 S 0.38353 0.85395 0.20054 1.00000
S6 S 0.40742 0.82199 0.61704 1.00000
S7 S 0.37047 0.45761 0.25977 1.00000
S8 S 0.85941 0.10177 0.54400 1.00000
S9 S 0.59045 0.10548 0.33517 1.00000
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