U4TiCo19As12
Alexandria ALEXAlex-ID: agm021109635 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12D19_0_spg6
UCo5As3 U5Ti3(Co4As3)4 Co CoAs
2024-11-01 12:53:06.250023
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021109635).
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 agm021109635
data_agm021109635
_cell_length_a 3.80326
_cell_length_b 10.75014
_cell_length_c 12.18751
_cell_angle_alpha 90.27655
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 498.28707
_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 0.50000 0.58196 0.30304 1.00000
U2 U 0.50000 0.92299 0.79604 1.00000
U3 U 0.00000 0.41934 0.70251 1.00000
U4 U 0.00000 0.08239 0.20690 1.00000
Ti1 Ti 0.50000 0.69835 0.00855 1.00000
Co1 Co 0.50000 0.21462 0.82178 1.00000
Co2 Co 0.50000 0.28585 0.32376 1.00000
Co3 Co 0.00000 0.78962 0.17602 1.00000
Co4 Co 0.00000 0.71134 0.67112 1.00000
Co5 Co 0.50000 0.88791 0.30352 1.00000
Co6 Co 0.50000 0.61421 0.79935 1.00000
Co7 Co 0.00000 0.11236 0.69967 1.00000
Co8 Co 0.00000 0.38009 0.19878 1.00000
Co9 Co 0.50000 0.40663 0.51480 1.00000
Co10 Co 0.50000 0.09205 0.01302 1.00000
Co11 Co 0.00000 0.59129 0.48046 1.00000
Co12 Co 0.00000 0.90843 0.98223 1.00000
Co13 Co 0.50000 0.46632 0.06944 1.00000
Co14 Co 0.50000 0.02676 0.57220 1.00000
Co15 Co 0.00000 0.53215 0.93262 1.00000
Co16 Co 0.00000 0.97382 0.43082 1.00000
Co17 Co 0.50000 0.78634 0.50546 1.00000
Co18 Co 0.00000 0.29797 0.99113 1.00000
Co19 Co 0.00000 0.21378 0.49642 1.00000
As1 As 0.50000 0.41542 0.88511 1.00000
As2 As 0.50000 0.08883 0.39032 1.00000
As3 As 0.00000 0.58202 0.12180 1.00000
As4 As 0.00000 0.91128 0.61211 1.00000
As5 As 0.50000 0.26650 0.13161 1.00000
As6 As 0.50000 0.22849 0.63048 1.00000
As7 As 0.00000 0.73103 0.86033 1.00000
As8 As 0.00000 0.77415 0.36847 1.00000
As9 As 0.50000 0.60060 0.60497 1.00000
As10 As 0.50000 0.90352 0.11003 1.00000
As11 As 0.00000 0.39428 0.39149 1.00000
As12 As 0.00000 0.10734 0.89361 1.00000
