LaCe8Th3
Alexandria ALEXAlex-ID: agm055437237 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_300_spg1
Ce3Th CeTh3 La
2025-01-18 11:10:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm055437237).
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 agm055437237
data_agm055437237
_cell_length_a 5.92911
_cell_length_b 6.87663
_cell_length_c 9.08483
_cell_angle_alpha 79.17216
_cell_angle_beta 77.48535
_cell_angle_gamma 73.30852
_cell_volume 343.23287
_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
La1 La 0.20460 0.04316 0.95662 1.00000
Ce1 Ce 0.70862 0.87335 0.12673 1.00000
Ce2 Ce 0.20778 0.37624 0.62354 1.00000
Ce3 Ce 0.20581 0.70770 0.29191 1.00000
Ce4 Ce 0.70602 0.21087 0.78962 1.00000
Ce5 Ce 0.21115 0.54052 0.95928 1.00000
Ce6 Ce 0.20883 0.87396 0.62381 1.00000
Ce7 Ce 0.71100 0.04066 0.45950 1.00000
Ce8 Ce 0.70621 0.37701 0.12518 1.00000
Th1 Th 0.71280 0.70715 0.79303 1.00000
Th2 Th 0.21137 0.20709 0.29297 1.00000
Th3 Th 0.70580 0.54227 0.45780 1.00000
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