Sr4Ac3Te8
Alexandria ALEXAlex-ID: agm005706277 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C8_7_spg166
Sr(AcTe2)2 AcTe SrTe
2023-06-29 18:55:17.192282
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706277).
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 agm005706277
data_agm005706277
_cell_length_a 9.45037
_cell_length_b 9.45037
_cell_length_c 10.17690
_cell_angle_alpha 62.33468
_cell_angle_beta 62.33468
_cell_angle_gamma 60.00000
_cell_volume 664.43877
_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 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.35545 0.35545 0.93365 1.00000
Sr3 Sr 0.50000 0.50000 0.50000 1.00000
Sr4 Sr 0.64455 0.64455 0.06635 1.00000
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
Ac2 Ac 0.00000 0.00000 0.50000 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.23547 0.23547 0.29360 1.00000
Te2 Te 0.23942 0.74844 0.26371 1.00000
Te3 Te 0.74844 0.74844 0.26371 1.00000
Te4 Te 0.74844 0.23942 0.26371 1.00000
Te5 Te 0.76453 0.76453 0.70640 1.00000
Te6 Te 0.76058 0.25156 0.73629 1.00000
Te7 Te 0.25156 0.25156 0.73629 1.00000
Te8 Te 0.25156 0.76058 0.73629 1.00000
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