Si(Te3Cl4)2
Alexandria ALEXAlex-ID: agm072995290 · 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
AB6C8_598_spg1
TeCl4 Te SiCl4
2024-10-07 12:35:48.281634
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072995290).
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 agm072995290
data_agm072995290
_cell_length_a 7.37604
_cell_length_b 7.35805
_cell_length_c 12.45675
_cell_angle_alpha 85.16686
_cell_angle_beta 98.74991
_cell_angle_gamma 99.84850
_cell_volume 657.17481
_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
Si1 Si 0.02870 0.95233 0.00142 1.00000
Te1 Te 0.70891 0.26247 0.48855 1.00000
Te2 Te 0.48486 0.81309 0.70684 1.00000
Te3 Te 0.36993 0.14522 0.61462 1.00000
Te4 Te 0.26095 0.78294 0.51053 1.00000
Te5 Te 0.48976 0.23501 0.29062 1.00000
Te6 Te 0.59900 0.90056 0.38335 1.00000
Cl1 Cl 0.86709 0.11998 0.90681 1.00000
Cl2 Cl 0.30127 0.06625 0.00202 1.00000
Cl3 Cl 0.98078 0.69882 0.94034 1.00000
Cl4 Cl 0.43909 0.63865 0.25715 1.00000
Cl5 Cl 0.95094 0.72053 0.58536 1.00000
Cl6 Cl 0.96641 0.93261 0.15594 1.00000
Cl7 Cl 0.53115 0.40767 0.74085 1.00000
Cl8 Cl 0.02115 0.32387 0.41559 1.00000
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