Nd(DyTh2)6
Alexandria ALEXAlex-ID: agm006115563 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_40_spg148
DyTh DyTh3 Nd
2023-08-26 01:41:58.209685
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115563).
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 agm006115563
data_agm006115563
_cell_length_a 8.73501
_cell_length_b 8.73501
_cell_length_c 8.73501
_cell_angle_alpha 99.51369
_cell_angle_beta 99.51369
_cell_angle_gamma 99.51369
_cell_volume 635.44228
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.90015 0.34039 0.90015 1.00000
Dy2 Dy 0.90015 0.90015 0.34039 1.00000
Dy3 Dy 0.34039 0.90015 0.90015 1.00000
Dy4 Dy 0.09985 0.09985 0.65961 1.00000
Dy5 Dy 0.09985 0.65961 0.09985 1.00000
Dy6 Dy 0.65961 0.09985 0.09985 1.00000
Th1 Th 0.75333 0.24667 0.50000 1.00000
Th2 Th 0.35082 0.08344 0.35082 1.00000
Th3 Th 0.35082 0.35082 0.08344 1.00000
Th4 Th 0.91656 0.64918 0.64918 1.00000
Th5 Th 0.64918 0.64918 0.91656 1.00000
Th6 Th 0.64918 0.91656 0.64918 1.00000
Th7 Th 0.50000 0.75333 0.24667 1.00000
Th8 Th 0.24667 0.50000 0.75333 1.00000
Th9 Th 0.24667 0.75333 0.50000 1.00000
Th10 Th 0.50000 0.24667 0.75333 1.00000
Th11 Th 0.75333 0.50000 0.24667 1.00000
Th12 Th 0.08344 0.35082 0.35082 1.00000
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