Ce2Dy3UP6
Alexandria ALEXAlex-ID: agm040377461 · 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
AB2C3D6_1_spg12
CeDy2P3 CeP UP
2025-02-03 00:18:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040377461).
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 agm040377461
data_agm040377461
_cell_length_a 6.96375
_cell_length_b 6.96375
_cell_length_c 6.96227
_cell_angle_alpha 80.40658
_cell_angle_beta 99.59342
_cell_angle_gamma 59.99202
_cell_volume 275.64717
_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 0.33368 0.33368 0.50000 1.00000
Ce2 Ce 0.66632 0.66632 0.50000 1.00000
Dy1 Dy 0.16898 0.16898 0.00000 1.00000
Dy2 Dy 0.83102 0.83102 0.00000 1.00000
Dy3 Dy 0.50000 0.50000 0.00000 1.00000
U1 U 0.00000 0.00000 0.50000 1.00000
P1 P 0.40877 0.91683 0.74978 1.00000
P2 P 0.24186 0.75814 0.25053 1.00000
P3 P 0.59123 0.08317 0.25022 1.00000
P4 P 0.08317 0.59123 0.74978 1.00000
P5 P 0.75814 0.24186 0.74947 1.00000
P6 P 0.91683 0.40877 0.25022 1.00000
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