GdP2F9
Alexandria ALEXAlex-ID: agm101973530 · 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
AB2C9_589_spg1
PF3 GdF3
2025-05-19 15:45:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101973530).
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 agm101973530
data_agm101973530
_cell_length_a 3.79499
_cell_length_b 7.80798
_cell_length_c 7.96598
_cell_angle_alpha 64.01967
_cell_angle_beta 92.51408
_cell_angle_gamma 87.93454
_cell_volume 211.58277
_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
Gd1 Gd 0.90589 0.13148 0.88657 1.00000
P1 P 0.17007 0.74502 0.68614 1.00000
P2 P 0.67529 0.39184 0.30202 1.00000
F1 F 0.93543 0.69772 0.54302 1.00000
F2 F 0.83808 0.33600 0.51547 1.00000
F3 F 0.99304 0.60807 0.87439 1.00000
F4 F 0.38419 0.31915 0.80591 1.00000
F5 F 0.41633 0.22198 0.36446 1.00000
F6 F 0.91973 0.10334 0.15352 1.00000
F7 F 0.39908 0.55641 0.29213 1.00000
F8 F 0.93818 0.93857 0.65416 1.00000
F9 F 0.42469 0.95041 0.92220 1.00000
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