Sr7Ac2Zn3
Alexandria ALEXAlex-ID: agm101100342 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_696_spg8
SrAcZn2 AcZn Sr
2025-05-17 18:12:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101100342).
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 agm101100342
data_agm101100342
_cell_length_a 6.81175
_cell_length_b 6.80117
_cell_length_c 11.99088
_cell_angle_alpha 79.07135
_cell_angle_beta 79.03143
_cell_angle_gamma 66.43263
_cell_volume 495.88203
_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 0.59692 0.26441 0.48640 1.00000
Sr2 Sr 0.31399 0.97943 0.30380 1.00000
Sr3 Sr 0.68239 0.34121 0.14803 1.00000
Sr4 Sr 0.96916 0.63560 0.30178 1.00000
Sr5 Sr 0.32900 0.99897 0.76683 1.00000
Sr6 Sr 0.06248 0.73001 0.62388 1.00000
Sr7 Sr 0.72806 0.39672 0.77799 1.00000
Ac1 Ac 0.72817 0.87759 0.98483 1.00000
Ac2 Ac 0.21384 0.39556 0.98607 1.00000
Zn1 Zn 0.20708 0.87528 0.04582 1.00000
Zn2 Zn 0.58986 0.74745 0.53740 1.00000
Zn3 Zn 0.07908 0.25778 0.53717 1.00000
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