YRhF7
Alexandria ALEXAlex-ID: agm024134201 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_220_spg14
YRhF7
2025-01-14 14:52:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024134201).
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 agm024134201
data_agm024134201
_cell_length_a 8.88922
_cell_length_b 5.53966
_cell_length_c 11.94488
_cell_angle_alpha 90.00000
_cell_angle_beta 117.43668
_cell_angle_gamma 90.00000
_cell_volume 522.04408
_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
Y1 Y 0.31290 0.73857 0.23456 1.00000
Y2 Y 0.68710 0.26143 0.76544 1.00000
Y3 Y 0.68710 0.23857 0.26544 1.00000
Y4 Y 0.31290 0.76143 0.73456 1.00000
Rh1 Rh 0.22639 0.24251 0.45596 1.00000
Rh2 Rh 0.77361 0.75749 0.54404 1.00000
Rh3 Rh 0.77361 0.74251 0.04404 1.00000
Rh4 Rh 0.22639 0.25749 0.95596 1.00000
F1 F 0.20472 0.06028 0.08245 1.00000
F2 F 0.79528 0.93972 0.91755 1.00000
F3 F 0.79528 0.56028 0.41755 1.00000
F4 F 0.20472 0.43972 0.58245 1.00000
F5 F 0.22836 0.53233 0.36395 1.00000
F6 F 0.77164 0.46767 0.63605 1.00000
F7 F 0.77164 0.03233 0.13605 1.00000
F8 F 0.22836 0.96767 0.86395 1.00000
F9 F 0.24569 0.04952 0.32618 1.00000
F10 F 0.75431 0.95048 0.67382 1.00000
F11 F 0.75431 0.54952 0.17382 1.00000
F12 F 0.24569 0.45048 0.82618 1.00000
F13 F 0.98158 0.22960 0.35865 1.00000
F14 F 0.01842 0.77040 0.64135 1.00000
F15 F 0.01842 0.72960 0.14135 1.00000
F16 F 0.98158 0.27040 0.85865 1.00000
F17 F 0.78114 0.05403 0.45728 1.00000
F18 F 0.21886 0.94597 0.54272 1.00000
F19 F 0.21886 0.55403 0.04272 1.00000
F20 F 0.78114 0.44597 0.95728 1.00000
F21 F 0.47077 0.25670 0.04941 1.00000
F22 F 0.52923 0.74330 0.95059 1.00000
F23 F 0.52923 0.75670 0.45059 1.00000
F24 F 0.47077 0.24330 0.54941 1.00000
F25 F 0.46976 0.41260 0.26912 1.00000
F26 F 0.53024 0.58740 0.73088 1.00000
F27 F 0.53024 0.91260 0.23088 1.00000
F28 F 0.46976 0.08740 0.76912 1.00000
