Y7Ru2C11
Alexandria ALEXAlex-ID: agm007988097 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7C11_1_spg63
Y4C7 Y7Ru4C9 C
2024-11-07 03:32:38.075536
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007988097).
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 agm007988097
data_agm007988097
_cell_length_a 8.47756
_cell_length_b 8.47756
_cell_length_c 20.13345
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 156.57992
_cell_volume 575.12681
_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 0.39705 0.60295 0.75000 1.00000
Y2 Y 0.60295 0.39705 0.25000 1.00000
Y3 Y 0.97772 0.02228 0.12691 1.00000
Y4 Y 0.02228 0.97772 0.87309 1.00000
Y5 Y 0.02228 0.97772 0.62691 1.00000
Y6 Y 0.97772 0.02228 0.37309 1.00000
Y7 Y 0.16034 0.83966 0.01782 1.00000
Y8 Y 0.83966 0.16034 0.98218 1.00000
Y9 Y 0.83966 0.16034 0.51782 1.00000
Y10 Y 0.16034 0.83966 0.48218 1.00000
Y11 Y 0.22292 0.77708 0.65521 1.00000
Y12 Y 0.77708 0.22292 0.34479 1.00000
Y13 Y 0.77708 0.22292 0.15521 1.00000
Y14 Y 0.22292 0.77708 0.84479 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Ru2 Ru 0.50000 0.50000 0.50000 1.00000
Ru3 Ru 0.58032 0.41968 0.75000 1.00000
Ru4 Ru 0.41968 0.58032 0.25000 1.00000
C1 C 0.00437 0.99563 0.75000 1.00000
C2 C 0.99563 0.00437 0.25000 1.00000
C3 C 0.77706 0.22294 0.75000 1.00000
C4 C 0.22294 0.77706 0.25000 1.00000
C5 C 0.69671 0.30329 0.75000 1.00000
C6 C 0.30329 0.69671 0.25000 1.00000
C7 C 0.29267 0.70733 0.06422 1.00000
C8 C 0.70733 0.29267 0.93578 1.00000
C9 C 0.70733 0.29267 0.56422 1.00000
C10 C 0.29267 0.70733 0.43578 1.00000
C11 C 0.37179 0.62821 0.62417 1.00000
C12 C 0.62821 0.37179 0.37583 1.00000
C13 C 0.62821 0.37179 0.12417 1.00000
C14 C 0.37179 0.62821 0.87583 1.00000
C15 C 0.37082 0.62918 0.08532 1.00000
C16 C 0.62918 0.37082 0.91468 1.00000
C17 C 0.62918 0.37082 0.58532 1.00000
C18 C 0.37082 0.62918 0.41468 1.00000
C19 C 0.42652 0.57348 0.92226 1.00000
C20 C 0.57348 0.42652 0.07774 1.00000
C21 C 0.57348 0.42652 0.42226 1.00000
C22 C 0.42652 0.57348 0.57774 1.00000
