Y2PbF8
Alexandria ALEXAlex-ID: agm002149233 · 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_19_spg12
Y3Pb4F17 YF3
2018-06-12 22:12:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002149233).
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 agm002149233
data_agm002149233
_cell_length_a 3.74408
_cell_length_b 5.69024
_cell_length_c 8.03903
_cell_angle_alpha 66.67108
_cell_angle_beta 76.53750
_cell_angle_gamma 90.00199
_cell_volume 152.12810
_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
Pb1 Pb 0.03109 0.03014 0.96965 1.00000
Y1 Y 0.34833 0.35472 0.33447 1.00000
Y2 Y 0.71320 0.70535 0.60491 1.00000
F1 F 0.92535 0.28845 0.18039 1.00000
F2 F 0.21633 0.43846 0.59850 1.00000
F3 F 0.31651 0.93159 0.39769 1.00000
F4 F 0.48038 0.71828 0.07093 1.00000
F5 F 0.74457 0.12845 0.54168 1.00000
F6 F 0.84503 0.62143 0.34098 1.00000
F7 F 0.13629 0.77165 0.75892 1.00000
F8 F 0.58159 0.34197 0.86855 1.00000
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