Dy7YP8
Alexandria ALEXAlex-ID: agm064965166 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C8_4_spg225
Dy3YP4 DyP
2024-11-08 17:41:28.351095
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064965166).
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 agm064965166
data_agm064965166
_cell_length_a 8.01438
_cell_length_b 8.01438
_cell_length_c 8.01438
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 363.99419
_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
Dy1 Dy 0.00000 0.00000 0.50000 1.00000
Dy2 Dy 0.00000 0.50000 0.50000 1.00000
Dy3 Dy 0.50000 0.00000 0.50000 1.00000
Dy4 Dy 0.00000 0.00000 0.00000 1.00000
Dy5 Dy 0.00000 0.50000 0.00000 1.00000
Dy6 Dy 0.50000 0.50000 0.00000 1.00000
Dy7 Dy 0.50000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
P1 P 0.75021 0.24979 0.24979 1.00000
P2 P 0.75021 0.75021 0.24979 1.00000
P3 P 0.75000 0.75000 0.75000 1.00000
P4 P 0.24979 0.75021 0.24979 1.00000
P5 P 0.75021 0.24979 0.75021 1.00000
P6 P 0.25000 0.25000 0.25000 1.00000
P7 P 0.24979 0.24979 0.75021 1.00000
P8 P 0.24979 0.75021 0.75021 1.00000
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