Ac5(Tb2Pr)2
Alexandria ALEXAlex-ID: agm005650199 · 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
A2B4C5_175_spg12
Tb5Pr3 Tb5Pr Ac
2023-06-22 10:40:41.673922
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005650199).
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 agm005650199
data_agm005650199
_cell_length_a 3.77051
_cell_length_b 9.05924
_cell_length_c 14.97808
_cell_angle_alpha 121.23566
_cell_angle_beta 97.23088
_cell_angle_gamma 90.00000
_cell_volume 432.69181
_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 0.18222 0.88866 0.36445 1.00000
Ac2 Ac 0.81778 0.11134 0.63555 1.00000
Ac3 Ac 0.13403 0.22014 0.26806 1.00000
Ac4 Ac 0.50000 0.00000 0.00000 1.00000
Ac5 Ac 0.86597 0.77986 0.73194 1.00000
Tb1 Tb 0.72581 0.62218 0.45163 1.00000
Tb2 Tb 0.03743 0.72715 0.07487 1.00000
Tb3 Tb 0.27419 0.37782 0.54837 1.00000
Tb4 Tb 0.96257 0.27285 0.92513 1.00000
Pr1 Pr 0.58519 0.48199 0.17038 1.00000
Pr2 Pr 0.41481 0.51801 0.82962 1.00000
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