PrSiF7
Alexandria ALEXAlex-ID: agm024141144 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
PrSiF7
2025-01-02 09:57:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024141144).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm024141144
data_agm024141144
_cell_length_a 6.01271
_cell_length_b 5.31961
_cell_length_c 7.99936
_cell_angle_alpha 90.00000
_cell_angle_beta 101.20577
_cell_angle_gamma 90.00000
_cell_volume 250.98352
_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
Pr1 Pr 0.32907 0.24156 0.30950 1.00000
Pr2 Pr 0.67093 0.74156 0.69050 1.00000
Si1 Si 0.19767 0.22686 0.78203 1.00000
Si2 Si 0.80233 0.72686 0.21797 1.00000
F1 F 0.39665 0.62329 0.45903 1.00000
F2 F 0.60335 0.12329 0.54097 1.00000
F3 F 0.00625 0.50273 0.21875 1.00000
F4 F 0.99375 0.00273 0.78125 1.00000
F5 F 0.23419 0.24226 0.99861 1.00000
F6 F 0.76581 0.74226 0.00139 1.00000
F7 F 0.00739 0.95597 0.23746 1.00000
F8 F 0.99261 0.45597 0.76254 1.00000
F9 F 0.60266 0.49206 0.19915 1.00000
F10 F 0.39734 0.99206 0.80085 1.00000
F11 F 0.40589 0.44731 0.78589 1.00000
F12 F 0.59411 0.94731 0.21411 1.00000
F13 F 0.15725 0.20629 0.56376 1.00000
F14 F 0.84275 0.70629 0.43624 1.00000
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