Tb3Pu2Th9
Alexandria ALEXAlex-ID: agm012256104 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_1600_spg1
Tb2Th3 Th Pu
2024-06-01 23:45:51.840805
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012256104).
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}
}
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# CIF generated by HEAS from Alexandria entry agm012256104
data_agm012256104
_cell_length_a 6.12103
_cell_length_b 9.35583
_cell_length_c 9.35988
_cell_angle_alpha 111.13849
_cell_angle_beta 108.94770
_cell_angle_gamma 102.68058
_cell_volume 437.08124
_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 0.29000 0.00298 0.10611 1.00000
Tb2 Tb 0.42773 0.71089 0.24759 1.00000
Tb3 Tb 0.35816 0.35837 0.68081 1.00000
Pu1 Pu 0.92894 0.21763 0.24951 1.00000
Pu2 Pu 0.50177 0.07045 0.82030 1.00000
Th1 Th 0.56997 0.42728 0.39382 1.00000
Th2 Th 0.13655 0.28142 0.96197 1.00000
Th3 Th 0.64663 0.78987 0.96469 1.00000
Th4 Th 0.85609 0.85628 0.67614 1.00000
Th5 Th 0.07240 0.93033 0.39466 1.00000
Th6 Th 0.99696 0.57139 0.82191 1.00000
Th7 Th 0.78324 0.49508 0.10825 1.00000
Th8 Th 0.71686 0.14466 0.53701 1.00000
Th9 Th 0.21471 0.64337 0.53723 1.00000
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