Dy2Y6Ho
Alexandria ALEXAlex-ID: agm005603072 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_654_spg15
Y5Ho Dy5Ho DyY5
2023-07-10 16:11:36.459266
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603072).
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 agm005603072
data_agm005603072
_cell_length_a 11.01377
_cell_length_b 9.53532
_cell_length_c 9.53532
_cell_angle_alpha 75.70231
_cell_angle_beta 50.61172
_cell_angle_gamma 50.61172
_cell_volume 577.46861
_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 0.02063 0.75900 0.91509 1.00000
Dy2 Dy 0.47937 0.08491 0.24100 1.00000
Dy3 Dy 0.97937 0.24100 0.08491 1.00000
Dy4 Dy 0.52063 0.91509 0.75900 1.00000
Y1 Y 0.60119 0.39708 0.59519 1.00000
Y2 Y 0.89881 0.40481 0.60292 1.00000
Y3 Y 0.39881 0.60292 0.40481 1.00000
Y4 Y 0.10119 0.59519 0.39708 1.00000
Y5 Y 0.77902 0.01823 0.33480 1.00000
Y6 Y 0.72098 0.66520 0.98177 1.00000
Y7 Y 0.22098 0.98177 0.66520 1.00000
Y8 Y 0.27902 0.33480 0.01823 1.00000
Y9 Y 0.32192 0.70631 0.98458 1.00000
Y10 Y 0.17808 0.01542 0.29369 1.00000
Y11 Y 0.67808 0.29369 0.01542 1.00000
Y12 Y 0.82192 0.98458 0.70631 1.00000
Ho1 Ho 0.25000 0.33389 0.66611 1.00000
Ho2 Ho 0.75000 0.66611 0.33389 1.00000
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