YRuF7
Alexandria ALEXAlex-ID: agm024133028 · 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_7_spg14
YRuF7
2024-12-08 09:35:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024133028).
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 agm024133028
data_agm024133028
_cell_length_a 8.91106
_cell_length_b 5.58140
_cell_length_c 11.96073
_cell_angle_alpha 90.00000
_cell_angle_beta 117.15853
_cell_angle_gamma 90.00000
_cell_volume 529.29387
_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 0.81204 0.74001 0.73328 1.00000
Y2 Y 0.18796 0.25999 0.26672 1.00000
Y3 Y 0.18796 0.24001 0.76672 1.00000
Y4 Y 0.81204 0.75999 0.23328 1.00000
Ru1 Ru 0.72643 0.24355 0.95556 1.00000
Ru2 Ru 0.27357 0.75645 0.04444 1.00000
Ru3 Ru 0.27357 0.74355 0.54444 1.00000
Ru4 Ru 0.72643 0.25645 0.45556 1.00000
F1 F 0.70515 0.05357 0.58020 1.00000
F2 F 0.29485 0.94643 0.41980 1.00000
F3 F 0.29485 0.55357 0.91980 1.00000
F4 F 0.70515 0.44643 0.08020 1.00000
F5 F 0.73082 0.52739 0.86075 1.00000
F6 F 0.26918 0.47261 0.13925 1.00000
F7 F 0.26918 0.02739 0.63925 1.00000
F8 F 0.73082 0.97261 0.36075 1.00000
F9 F 0.74665 0.04445 0.82791 1.00000
F10 F 0.25335 0.95555 0.17209 1.00000
F11 F 0.25335 0.54445 0.67209 1.00000
F12 F 0.74665 0.45555 0.32791 1.00000
F13 F 0.48364 0.23312 0.85843 1.00000
F14 F 0.51636 0.76688 0.14157 1.00000
F15 F 0.51636 0.73312 0.64157 1.00000
F16 F 0.48364 0.26688 0.35843 1.00000
F17 F 0.28321 0.04766 0.95497 1.00000
F18 F 0.71679 0.95234 0.04503 1.00000
F19 F 0.71679 0.54766 0.54503 1.00000
F20 F 0.28321 0.45234 0.45497 1.00000
F21 F 0.96839 0.25749 0.54945 1.00000
F22 F 0.03161 0.74251 0.45055 1.00000
F23 F 0.03161 0.75749 0.95055 1.00000
F24 F 0.96839 0.24251 0.04945 1.00000
F25 F 0.97190 0.41921 0.76829 1.00000
F26 F 0.02810 0.58079 0.23171 1.00000
F27 F 0.02810 0.91921 0.73171 1.00000
F28 F 0.97190 0.08079 0.26829 1.00000
