Sr2YSnS5
Alexandria ALEXAlex-ID: agm005152203 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_216_spg36
Sr2SnS4 SrSnS2 Sr(YS2)2
2023-01-19 13:53:19.179106
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152203).
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 agm005152203
data_agm005152203
_cell_length_a 4.16312
_cell_length_b 8.90075
_cell_length_c 12.69044
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.52463
_cell_volume 457.20278
_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
Sr1 Sr 0.86176 0.72352 0.80457 1.00000
Sr2 Sr 0.10950 0.21900 0.68079 1.00000
Sr3 Sr 0.13824 0.27648 0.30457 1.00000
Sr4 Sr 0.89050 0.78100 0.18079 1.00000
Y1 Y 0.78539 0.57077 0.51812 1.00000
Y2 Y 0.21461 0.42923 0.01812 1.00000
Sn1 Sn 0.53424 0.06848 0.95298 1.00000
Sn2 Sn 0.46576 0.93152 0.45298 1.00000
S1 S 0.36870 0.73740 0.99761 1.00000
S2 S 0.68344 0.36689 0.87604 1.00000
S3 S 0.49165 0.98329 0.76360 1.00000
S4 S 0.28106 0.56212 0.66188 1.00000
S5 S 0.94504 0.89008 0.56839 1.00000
S6 S 0.63130 0.26260 0.49761 1.00000
S7 S 0.31656 0.63311 0.37604 1.00000
S8 S 0.50835 0.01671 0.26360 1.00000
S9 S 0.71894 0.43788 0.16188 1.00000
S10 S 0.05496 0.10992 0.06839 1.00000
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