Pu4PaTl8
Alexandria ALEXAlex-ID: agm097330484 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1255_spg1
PuTl3 Pa PuTl
2025-06-22 22:54:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097330484).
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
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# CIF generated by HEAS from Alexandria entry agm097330484
data_agm097330484
_cell_length_a 5.01141
_cell_length_b 9.73701
_cell_length_c 9.29695
_cell_angle_alpha 125.91470
_cell_angle_beta 89.91066
_cell_angle_gamma 89.95214
_cell_volume 367.40991
_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
Pu1 Pu 0.00046 0.87593 0.96760 1.00000
Pu2 Pu 0.99970 0.56575 0.03294 1.00000
Pu3 Pu 0.00166 0.68421 0.63258 1.00000
Pu4 Pu 0.99875 0.10666 0.45020 1.00000
Pa1 Pa 0.50027 0.00331 0.96838 1.00000
Tl1 Tl 0.49941 0.87092 0.21999 1.00000
Tl2 Tl 0.99881 0.30038 0.22179 1.00000
Tl3 Tl 0.49969 0.26945 0.76260 1.00000
Tl4 Tl 0.50219 0.84059 0.53193 1.00000
Tl5 Tl 0.49813 0.30779 0.42357 1.00000
Tl6 Tl 0.49880 0.47515 0.19138 1.00000
Tl7 Tl 0.50150 0.60684 0.80443 1.00000
Tl8 Tl 0.00062 0.09305 0.79262 1.00000
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