Sr8Zn2Pd
Alexandria ALEXAlex-ID: agm005958477 · 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
AB2C8_146_spg12
Sr6Pd SrZn
2023-10-01 23:46:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005958477).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005958477
data_agm005958477
_cell_length_a 8.12938
_cell_length_b 8.16667
_cell_length_c 8.45963
_cell_angle_alpha 92.30820
_cell_angle_beta 118.71681
_cell_angle_gamma 89.99999
_cell_volume 492.03696
_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 0.70300 0.24840 0.90969 1.00000
Sr2 Sr 0.20668 0.24840 0.90969 1.00000
Sr3 Sr 0.29700 0.75160 0.09031 1.00000
Sr4 Sr 0.70439 0.38546 0.40878 1.00000
Sr5 Sr 0.79332 0.75160 0.09031 1.00000
Sr6 Sr 0.19902 0.11727 0.39804 1.00000
Sr7 Sr 0.80098 0.88273 0.60196 1.00000
Sr8 Sr 0.29561 0.61454 0.59122 1.00000
Zn1 Zn 0.08887 0.45428 0.17774 1.00000
Zn2 Zn 0.91113 0.54572 0.82226 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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