Ce5Y3Th
Alexandria ALEXAlex-ID: agm072245397 · 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
AB3C5_1080_spg1
Ce3Th Ce Y
2024-09-25 01:15:30.988784
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072245397).
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 agm072245397
data_agm072245397
_cell_length_a 6.24215
_cell_length_b 6.30995
_cell_length_c 6.81409
_cell_angle_alpha 94.98036
_cell_angle_beta 97.13235
_cell_angle_gamma 93.90288
_cell_volume 264.46353
_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 0.86722 0.66542 0.62460 1.00000
Ce2 Ce 0.21387 0.90877 0.49214 1.00000
Ce3 Ce 0.88829 0.19115 0.56036 1.00000
Ce4 Ce 0.65546 0.93622 0.22802 1.00000
Ce5 Ce 0.59670 0.98014 0.77569 1.00000
Y1 Y 0.35398 0.48138 0.85139 1.00000
Y2 Y 0.88077 0.45338 0.09793 1.00000
Y3 Y 0.40267 0.40845 0.35416 1.00000
Th1 Th 0.14273 0.97529 0.01934 1.00000
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