Sr3Cd7Sn4
Alexandria ALEXAlex-ID: agm005697481 · 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
A3B4C7_8_spg12
Sr3(CdSn)4 Cd
2023-06-29 17:54:40.943631
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697481).
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 agm005697481
data_agm005697481
_cell_length_a 4.92711
_cell_length_b 9.25685
_cell_length_c 9.38476
_cell_angle_alpha 70.87975
_cell_angle_beta 74.78120
_cell_angle_gamma 74.56571
_cell_volume 382.54407
_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 0.29573 0.20306 0.20549 1.00000
Sr2 Sr 0.70427 0.79694 0.79451 1.00000
Sr3 Sr 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.34805 0.79130 0.51260 1.00000
Cd2 Cd 0.49564 0.17717 0.83155 1.00000
Cd3 Cd 0.85413 0.36010 0.93164 1.00000
Cd4 Cd 0.65195 0.20870 0.48740 1.00000
Cd5 Cd 0.14587 0.63990 0.06836 1.00000
Cd6 Cd 0.00000 0.00000 0.00000 1.00000
Cd7 Cd 0.50436 0.82283 0.16845 1.00000
Sn1 Sn 0.65259 0.47635 0.21847 1.00000
Sn2 Sn 0.34741 0.52365 0.78153 1.00000
Sn3 Sn 0.85751 0.92773 0.35725 1.00000
Sn4 Sn 0.14249 0.07227 0.64275 1.00000
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