Ce3ThCo8
Alexandria ALEXAlex-ID: agm003587366 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_29_spg160
Th2Co17 CeCo2 ThCo
2022-04-03 10:07:35.178759
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003587366).
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
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# CIF generated by HEAS from Alexandria entry agm003587366
data_agm003587366
_cell_length_a 5.02624
_cell_length_b 5.02624
_cell_length_c 8.68690
_cell_angle_alpha 73.18396
_cell_angle_beta 73.18396
_cell_angle_gamma 60.00000
_cell_volume 179.13789
_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 0.37187 0.37187 0.88438 1.00000
Ce2 Ce 0.00493 0.00493 0.98522 1.00000
Ce3 Ce 0.49492 0.49492 0.51523 1.00000
Th1 Th 0.87724 0.87724 0.36827 1.00000
Co1 Co 0.93527 0.43921 0.18632 1.00000
Co2 Co 0.43888 0.93673 0.68766 1.00000
Co3 Co 0.43921 0.43921 0.18632 1.00000
Co4 Co 0.93673 0.93673 0.68766 1.00000
Co5 Co 0.18743 0.18743 0.43771 1.00000
Co6 Co 0.68757 0.68757 0.93729 1.00000
Co7 Co 0.43921 0.93527 0.18632 1.00000
Co8 Co 0.93673 0.43888 0.68766 1.00000
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