Ce2Th3C4
Alexandria ALEXAlex-ID: agm005689612 · 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
A2B3C4_4_spg12
Ce2ThC2 Th6C5 Ce2C3
2023-06-26 19:45:30.673098
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689612).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005689612
data_agm005689612
_cell_length_a 3.72042
_cell_length_b 6.50536
_cell_length_c 8.30250
_cell_angle_alpha 75.83478
_cell_angle_beta 77.05272
_cell_angle_gamma 73.38434
_cell_volume 184.11271
_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 0.60679 0.17677 0.60965 1.00000
Ce2 Ce 0.39321 0.82323 0.39035 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.20145 0.40071 0.19638 1.00000
Th3 Th 0.79855 0.59929 0.80362 1.00000
C1 C 0.80225 0.08322 0.31227 1.00000
C2 C 0.19775 0.91678 0.68773 1.00000
C3 C 0.39122 0.30945 0.90811 1.00000
C4 C 0.60878 0.69055 0.09189 1.00000
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