U7Co6Pb23
Alexandria ALEXAlex-ID: agm009652156 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A6B7C23_0_spg164
UCo U Pb
2024-06-03 21:51:07.241506
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009652156).
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 agm009652156
data_agm009652156
_cell_length_a 9.94466
_cell_length_b 9.95200
_cell_length_c 10.56431
_cell_angle_alpha 90.09167
_cell_angle_beta 90.02420
_cell_angle_gamma 119.99437
_cell_volume 905.51522
_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
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.49628 0.50282 0.29859 1.00000
U3 U 0.50372 0.49718 0.70141 1.00000
U4 U 0.49690 0.99342 0.29871 1.00000
U5 U 0.50310 0.00658 0.70129 1.00000
U6 U 0.00637 0.50336 0.29858 1.00000
U7 U 0.99363 0.49664 0.70142 1.00000
Co1 Co 0.81826 0.17907 0.21728 1.00000
Co2 Co 0.18174 0.82093 0.78272 1.00000
Co3 Co 0.81998 0.63880 0.21748 1.00000
Co4 Co 0.18002 0.36120 0.78252 1.00000
Co5 Co 0.36024 0.18099 0.21700 1.00000
Co6 Co 0.63976 0.81901 0.78300 1.00000
Pb1 Pb 0.34236 0.00058 0.00009 1.00000
Pb2 Pb 0.65764 0.99942 0.99991 1.00000
Pb3 Pb 0.99948 0.34186 0.00005 1.00000
Pb4 Pb 0.00052 0.65814 0.99995 1.00000
Pb5 Pb 0.65843 0.65736 0.99984 1.00000
Pb6 Pb 0.34157 0.34264 0.00016 1.00000
Pb7 Pb 0.33369 0.66704 0.83949 1.00000
Pb8 Pb 0.66631 0.33296 0.16051 1.00000
Pb9 Pb 0.00000 0.00000 0.50000 1.00000
Pb10 Pb 0.78178 0.21870 0.47729 1.00000
Pb11 Pb 0.21822 0.78130 0.52271 1.00000
Pb12 Pb 0.78139 0.56299 0.47730 1.00000
Pb13 Pb 0.21861 0.43701 0.52270 1.00000
Pb14 Pb 0.43648 0.21832 0.47713 1.00000
Pb15 Pb 0.56352 0.78168 0.52287 1.00000
Pb16 Pb 0.33329 0.66666 0.14576 1.00000
Pb17 Pb 0.66671 0.33334 0.85424 1.00000
Pb18 Pb 0.11965 0.88072 0.26257 1.00000
Pb19 Pb 0.88035 0.11928 0.73743 1.00000
Pb20 Pb 0.11857 0.23852 0.26272 1.00000
Pb21 Pb 0.88143 0.76148 0.73728 1.00000
Pb22 Pb 0.76067 0.87979 0.26243 1.00000
Pb23 Pb 0.23933 0.12021 0.73757 1.00000
