Tb4Y7Th
Alexandria ALEXAlex-ID: agm003665556 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_85_spg12
Tb2Y7 Y2Th Tb5Y
2022-04-28 05:35:54.990554
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665556).
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 agm003665556
data_agm003665556
_cell_length_a 5.93281
_cell_length_b 11.61301
_cell_length_c 6.75937
_cell_angle_alpha 83.40626
_cell_angle_beta 63.96893
_cell_angle_gamma 75.20045
_cell_volume 404.57811
_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
Tb1 Tb 0.63989 0.22416 0.49606 1.00000
Tb2 Tb 0.36011 0.77584 0.50394 1.00000
Tb3 Tb 0.75832 0.67809 0.80528 1.00000
Tb4 Tb 0.24168 0.32191 0.19472 1.00000
Y1 Y 0.78682 0.92284 0.50352 1.00000
Y2 Y 0.21318 0.07716 0.49648 1.00000
Y3 Y 0.06134 0.67901 0.19831 1.00000
Y4 Y 0.93866 0.32099 0.80169 1.00000
Y5 Y 0.36695 0.49991 0.76618 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.63305 0.50009 0.23382 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
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