Ac12Nd6Ho
Alexandria ALEXAlex-ID: agm006117893 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_30_spg148
NdHo2 Ac Nd
2023-09-03 23:48:59.458249
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117893).
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 agm006117893
data_agm006117893
_cell_length_a 10.24473
_cell_length_b 10.24473
_cell_length_c 10.24473
_cell_angle_alpha 110.85208
_cell_angle_beta 110.85207
_cell_angle_gamma 110.85207
_cell_volume 782.54552
_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
Ac1 Ac 0.37683 0.06605 0.58405 1.00000
Ac2 Ac 0.06605 0.58405 0.37683 1.00000
Ac3 Ac 0.58405 0.37683 0.06605 1.00000
Ac4 Ac 0.62317 0.93395 0.41595 1.00000
Ac5 Ac 0.93395 0.41595 0.62317 1.00000
Ac6 Ac 0.41595 0.62317 0.93395 1.00000
Ac7 Ac 0.10153 0.15464 0.73830 1.00000
Ac8 Ac 0.26170 0.89847 0.84536 1.00000
Ac9 Ac 0.84536 0.26170 0.89847 1.00000
Ac10 Ac 0.89847 0.84536 0.26170 1.00000
Ac11 Ac 0.73830 0.10153 0.15464 1.00000
Ac12 Ac 0.15464 0.73830 0.10153 1.00000
Nd1 Nd 0.21483 0.31691 0.46685 1.00000
Nd2 Nd 0.68309 0.53315 0.78517 1.00000
Nd3 Nd 0.53315 0.78517 0.68309 1.00000
Nd4 Nd 0.78517 0.68309 0.53315 1.00000
Nd5 Nd 0.31691 0.46685 0.21483 1.00000
Nd6 Nd 0.46685 0.21483 0.31691 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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