K2CoSnS4
Alexandria ALEXAlex-ID: agm002312232 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_41_spg42
K2SnS3 Co9S8 Co3S4
2019-01-01 18:32:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002312232).
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 agm002312232
data_agm002312232
_cell_length_a 7.09812
_cell_length_b 7.09802
_cell_length_c 6.60128
_cell_angle_alpha 57.63726
_cell_angle_beta 57.63991
_cell_angle_gamma 90.25973
_cell_volume 216.66344
_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
S1 S 0.13455 0.03833 0.23727 1.00000
S2 S 0.74966 0.33971 0.81510 1.00000
S3 S 0.43529 0.84521 0.81501 1.00000
S4 S 0.62820 0.72440 0.23727 1.00000
K1 K 0.98202 0.48202 0.03598 1.00000
K2 K 0.23484 0.23486 0.53026 1.00000
Co1 Co 0.48627 0.98626 0.02745 1.00000
Sn1 Sn 0.73623 0.73625 0.52755 1.00000
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