Ce4ErCo10(B2C)5
Alexandria ALEXAlex-ID: agm011069554 · 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
AB4C5D10E10_0_spg12
CeCo2B2C Er(CoB)4 ErCoC2 Ce(BC)2 Er(CoB)2
2024-10-26 11:10:10.637127
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011069554).
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 agm011069554
data_agm011069554
_cell_length_a 5.65181
_cell_length_b 5.65181
_cell_length_c 17.60407
_cell_angle_alpha 75.60456
_cell_angle_beta 75.60456
_cell_angle_gamma 37.18897
_cell_volume 327.99421
_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 0.19734 0.19734 0.80299 1.00000
Ce2 Ce 0.39877 0.39877 0.60082 1.00000
Ce3 Ce 0.60123 0.60123 0.39918 1.00000
Ce4 Ce 0.80266 0.80266 0.19701 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.29674 0.29674 0.95070 1.00000
Co2 Co 0.10458 0.10458 0.14853 1.00000
Co3 Co 0.90284 0.90284 0.34900 1.00000
Co4 Co 0.69959 0.69959 0.55016 1.00000
Co5 Co 0.49683 0.49683 0.75135 1.00000
Co6 Co 0.70326 0.70326 0.04930 1.00000
Co7 Co 0.50317 0.50317 0.24865 1.00000
Co8 Co 0.30041 0.30041 0.44984 1.00000
Co9 Co 0.09716 0.09716 0.65100 1.00000
Co10 Co 0.89542 0.89542 0.85147 1.00000
B1 B 0.28508 0.28508 0.06884 1.00000
B2 B 0.08331 0.08331 0.26822 1.00000
B3 B 0.87964 0.87964 0.46951 1.00000
B4 B 0.67622 0.67622 0.67069 1.00000
B5 B 0.47445 0.47445 0.87193 1.00000
B6 B 0.71492 0.71492 0.93116 1.00000
B7 B 0.52555 0.52555 0.12807 1.00000
B8 B 0.32378 0.32378 0.32931 1.00000
B9 B 0.12036 0.12036 0.53049 1.00000
B10 B 0.91669 0.91669 0.73178 1.00000
C1 C 0.40649 0.40649 0.09739 1.00000
C2 C 0.20354 0.20354 0.29893 1.00000
C3 C 0.00000 0.00000 0.50000 1.00000
C4 C 0.79646 0.79646 0.70107 1.00000
C5 C 0.59351 0.59351 0.90261 1.00000
