YBi2C
Alexandria ALEXAlex-ID: agm005244462 · 空间群: P4_2/mbc (#135)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_325_spg135
YBi C Bi
2024-10-04 05:33:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005244462).
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 agm005244462
data_agm005244462
_cell_length_a 10.94812
_cell_length_b 10.94812
_cell_length_c 6.55681
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 785.90724
_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 0.16705 0.66705 0.25000 1.00000
Y2 Y 0.83295 0.33295 0.75000 1.00000
Y3 Y 0.83295 0.33295 0.25000 1.00000
Y4 Y 0.33295 0.16705 0.75000 1.00000
Y5 Y 0.16705 0.66705 0.75000 1.00000
Y6 Y 0.66705 0.83295 0.25000 1.00000
Y7 Y 0.66705 0.83295 0.75000 1.00000
Y8 Y 0.33295 0.16705 0.25000 1.00000
Bi1 Bi 0.10183 0.39007 0.00000 1.00000
Bi2 Bi 0.89817 0.60993 0.00000 1.00000
Bi3 Bi 0.60993 0.10183 0.50000 1.00000
Bi4 Bi 0.39817 0.89007 0.00000 1.00000
Bi5 Bi 0.39007 0.89817 0.50000 1.00000
Bi6 Bi 0.60183 0.10993 0.00000 1.00000
Bi7 Bi 0.89007 0.60183 0.50000 1.00000
Bi8 Bi 0.10993 0.39817 0.50000 1.00000
Bi9 Bi 0.92174 0.11440 0.00000 1.00000
Bi10 Bi 0.07826 0.88560 0.00000 1.00000
Bi11 Bi 0.88560 0.92174 0.50000 1.00000
Bi12 Bi 0.57826 0.61440 0.00000 1.00000
Bi13 Bi 0.11440 0.07826 0.50000 1.00000
Bi14 Bi 0.42174 0.38560 0.00000 1.00000
Bi15 Bi 0.61440 0.42174 0.50000 1.00000
Bi16 Bi 0.38560 0.57826 0.50000 1.00000
C1 C 0.35626 0.59050 0.00000 1.00000
C2 C 0.64374 0.40950 0.00000 1.00000
C3 C 0.40950 0.35626 0.50000 1.00000
C4 C 0.14374 0.09050 0.00000 1.00000
C5 C 0.59050 0.64374 0.50000 1.00000
C6 C 0.85626 0.90950 0.00000 1.00000
C7 C 0.09050 0.85626 0.50000 1.00000
C8 C 0.90950 0.14374 0.50000 1.00000
