Y(UP2)2
Alexandria ALEXAlex-ID: agm003453021 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_731_spg63
UP2 U3P4 YP
2022-02-18 20:56:32.801058
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003453021).
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 agm003453021
data_agm003453021
_cell_length_a 3.93971
_cell_length_b 6.86447
_cell_length_c 12.35177
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.67630
_cell_volume 319.99236
_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
Y1 Y 0.61398 0.22795 0.75000 1.00000
Y2 Y 0.38602 0.77205 0.25000 1.00000
U1 U 0.13227 0.26454 0.43536 1.00000
U2 U 0.86773 0.73546 0.93536 1.00000
U3 U 0.13227 0.26454 0.06464 1.00000
U4 U 0.86773 0.73546 0.56464 1.00000
P1 P 0.76379 0.52759 0.12556 1.00000
P2 P 0.76379 0.52759 0.37444 1.00000
P3 P 0.23621 0.47241 0.87444 1.00000
P4 P 0.23621 0.47241 0.62556 1.00000
P5 P 0.96500 0.92999 0.75000 1.00000
P6 P 0.03500 0.07001 0.25000 1.00000
P7 P 0.50000 0.00000 0.00000 1.00000
P8 P 0.50000 0.00000 0.50000 1.00000
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