U5Co19P12
Alexandria ALEXAlex-ID: agm008609907 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B12C19_2_spg12
U6Co20P13 Co2P
2024-10-02 03:47:47.876822
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008609907).
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 agm008609907
data_agm008609907
_cell_length_a 14.27812
_cell_length_b 14.27812
_cell_length_c 9.04743
_cell_angle_alpha 76.13221
_cell_angle_beta 76.13221
_cell_angle_gamma 14.73418
_cell_volume 455.20245
_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 0.50000 1.00000
U2 U 0.92005 0.92005 0.17970 1.00000
U3 U 0.07995 0.07995 0.82030 1.00000
U4 U 0.67440 0.67440 0.23440 1.00000
U5 U 0.32560 0.32560 0.76560 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.28036 0.28036 0.50550 1.00000
Co3 Co 0.71964 0.71964 0.49450 1.00000
Co4 Co 0.34929 0.34929 0.08332 1.00000
Co5 Co 0.65071 0.65071 0.91668 1.00000
Co6 Co 0.25706 0.25706 0.09458 1.00000
Co7 Co 0.74294 0.74294 0.90542 1.00000
Co8 Co 0.15700 0.15700 0.51708 1.00000
Co9 Co 0.84300 0.84300 0.48292 1.00000
Co10 Co 0.02538 0.02538 0.16315 1.00000
Co11 Co 0.97462 0.97462 0.83685 1.00000
Co12 Co 0.41115 0.41115 0.44492 1.00000
Co13 Co 0.58885 0.58885 0.55508 1.00000
Co14 Co 0.56269 0.56269 0.30798 1.00000
Co15 Co 0.43731 0.43731 0.69202 1.00000
Co16 Co 0.11766 0.11766 0.12383 1.00000
Co17 Co 0.88234 0.88234 0.87617 1.00000
Co18 Co 0.79629 0.79629 0.26715 1.00000
Co19 Co 0.20371 0.20371 0.73285 1.00000
P1 P 0.23246 0.23246 0.34681 1.00000
P2 P 0.76754 0.76754 0.65319 1.00000
P3 P 0.34738 0.34738 0.33095 1.00000
P4 P 0.65262 0.65262 0.66905 1.00000
P5 P 0.10007 0.10007 0.39111 1.00000
P6 P 0.89993 0.89993 0.60889 1.00000
P7 P 0.80563 0.80563 0.02005 1.00000
P8 P 0.19437 0.19437 0.97995 1.00000
P9 P 0.48293 0.48293 0.27112 1.00000
P10 P 0.51707 0.51707 0.72888 1.00000
P11 P 0.57540 0.57540 0.05883 1.00000
P12 P 0.42460 0.42460 0.94117 1.00000
