Tb6Pm5Pu
Alexandria ALEXAlex-ID: agm006136992 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_51_spg65
Tb5Pm3 Pm Pu
2023-09-18 01:52:50.762044
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136992).
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 agm006136992
data_agm006136992
_cell_length_a 5.07165
_cell_length_b 8.03382
_cell_length_c 11.30746
_cell_angle_alpha 81.85850
_cell_angle_beta 63.34198
_cell_angle_gamma 71.60031
_cell_volume 390.69591
_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
Pm1 Pm 0.16694 0.66613 0.50000 1.00000
Pm2 Pm 0.33623 0.32755 1.00000 1.00000
Pm3 Pm 0.50000 0.00000 0.50000 1.00000
Pm4 Pm 0.66377 0.67245 0.00000 1.00000
Pm5 Pm 0.83306 0.33387 0.50000 1.00000
Tb1 Tb 0.58868 0.32975 0.24642 1.00000
Tb2 Tb 0.08156 0.32975 0.75358 1.00000
Tb3 Tb 0.74630 1.00000 0.75375 1.00000
Tb4 Tb 0.25370 0.00000 0.24625 1.00000
Tb5 Tb 0.91844 0.67025 0.24642 1.00000
Tb6 Tb 0.41132 0.67025 0.75358 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
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