Ac12Nd6Y
Alexandria ALEXAlex-ID: agm006116831 · 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
NdY2 Ac Nd
2023-08-30 04:08:41.065439
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116831).
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 agm006116831
data_agm006116831
_cell_length_a 10.25225
_cell_length_b 10.25225
_cell_length_c 10.25225
_cell_angle_alpha 110.83059
_cell_angle_beta 110.83059
_cell_angle_gamma 110.83058
_cell_volume 785.02055
_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 0.37606 0.06507 0.58326 1.00000
Ac2 Ac 0.06507 0.58326 0.37606 1.00000
Ac3 Ac 0.58326 0.37606 0.06507 1.00000
Ac4 Ac 0.62394 0.93493 0.41674 1.00000
Ac5 Ac 0.93493 0.41674 0.62394 1.00000
Ac6 Ac 0.41674 0.62394 0.93493 1.00000
Ac7 Ac 0.10201 0.15513 0.73792 1.00000
Ac8 Ac 0.26208 0.89799 0.84487 1.00000
Ac9 Ac 0.84487 0.26208 0.89799 1.00000
Ac10 Ac 0.89799 0.84487 0.26208 1.00000
Ac11 Ac 0.73792 0.10201 0.15513 1.00000
Ac12 Ac 0.15513 0.73792 0.10201 1.00000
Nd1 Nd 0.21543 0.31773 0.46803 1.00000
Nd2 Nd 0.68227 0.53197 0.78457 1.00000
Nd3 Nd 0.53197 0.78457 0.68227 1.00000
Nd4 Nd 0.78457 0.68227 0.53197 1.00000
Nd5 Nd 0.31773 0.46803 0.21543 1.00000
Nd6 Nd 0.46803 0.21543 0.31773 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
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