Ce2YRu
Alexandria ALEXAlex-ID: agm005735995 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_7452_spg62
CeY2Ru Ce16Ru9 Ce
2023-07-13 23:57:31.013459
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005735995).
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 agm005735995
data_agm005735995
_cell_length_a 6.08094
_cell_length_b 9.64820
_cell_length_c 14.17543
_cell_angle_alpha 90.00003
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 831.67381
_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
Ce1 Ce 0.05850 0.06397 0.21147 1.00000
Ce2 Ce 0.55850 0.93603 0.28853 1.00000
Ce3 Ce 0.94150 0.56397 0.78853 1.00000
Ce4 Ce 0.44150 0.43603 0.71147 1.00000
Ce5 Ce 0.94150 0.93603 0.78853 1.00000
Ce6 Ce 0.44150 0.06397 0.71147 1.00000
Ce7 Ce 0.05850 0.43603 0.21147 1.00000
Ce8 Ce 0.55850 0.56397 0.28853 1.00000
Ce9 Ce 0.75284 0.55908 0.03837 1.00000
Ce10 Ce 0.25284 0.44092 0.46163 1.00000
Ce11 Ce 0.24716 0.05908 0.96163 1.00000
Ce12 Ce 0.74716 0.94092 0.53837 1.00000
Ce13 Ce 0.24716 0.44092 0.96163 1.00000
Ce14 Ce 0.74716 0.55908 0.53837 1.00000
Ce15 Ce 0.75284 0.94092 0.03837 1.00000
Ce16 Ce 0.25284 0.05908 0.46163 1.00000
Y1 Y 0.54291 0.25000 0.14583 1.00000
Y2 Y 0.04291 0.75000 0.35417 1.00000
Y3 Y 0.45709 0.75000 0.85417 1.00000
Y4 Y 0.95709 0.25000 0.64583 1.00000
Y5 Y 0.76119 0.25000 0.39824 1.00000
Y6 Y 0.26119 0.75000 0.10176 1.00000
Y7 Y 0.23881 0.75000 0.60176 1.00000
Y8 Y 0.73881 0.25000 0.89824 1.00000
Ru1 Ru 0.27010 0.25000 0.32786 1.00000
Ru2 Ru 0.77010 0.75000 0.17214 1.00000
Ru3 Ru 0.72990 0.75000 0.67214 1.00000
Ru4 Ru 0.22990 0.25000 0.82786 1.00000
Ru5 Ru 0.02474 0.25000 0.07635 1.00000
Ru6 Ru 0.52474 0.75000 0.42365 1.00000
Ru7 Ru 0.97526 0.75000 0.92365 1.00000
Ru8 Ru 0.47526 0.25000 0.57635 1.00000
