Sr8PdF4
Alexandria ALEXAlex-ID: agm098094872 · 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
AB4C8_1769_spg1
Sr6Pd SrF2
2025-06-21 11:57:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098094872).
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 agm098094872
data_agm098094872
_cell_length_a 4.29271
_cell_length_b 12.22139
_cell_length_c 10.55061
_cell_angle_alpha 54.29603
_cell_angle_beta 88.51584
_cell_angle_gamma 88.96350
_cell_volume 449.32436
_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 0.73394 0.33423 0.09683 1.00000
Sr2 Sr 0.70551 0.85969 0.08298 1.00000
Sr3 Sr 0.75772 0.57919 0.61568 1.00000
Sr4 Sr 0.73235 0.10679 0.58166 1.00000
Sr5 Sr 0.26342 0.99175 0.33389 1.00000
Sr6 Sr 0.23435 0.48432 0.34040 1.00000
Sr7 Sr 0.28084 0.21914 0.86637 1.00000
Sr8 Sr 0.22814 0.72928 0.84575 1.00000
Pd1 Pd 0.21641 0.98548 0.82895 1.00000
F1 F 0.59458 0.03981 0.11086 1.00000
F2 F 0.23225 0.23277 0.09920 1.00000
F3 F 0.76955 0.34114 0.85136 1.00000
F4 F 0.75095 0.09641 0.34608 1.00000
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