Pu2TcB6
Alexandria ALEXAlex-ID: agm005288933 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_141_spg55
Pu2TcB6
2024-10-20 13:25:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288933).
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 agm005288933
data_agm005288933
_cell_length_a 3.65175
_cell_length_b 9.29862
_cell_length_c 11.39270
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 386.85361
_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 0.00000 0.33651 0.40756 1.00000
Pu2 Pu 0.00000 0.66349 0.59244 1.00000
Pu3 Pu 0.00000 0.83651 0.09244 1.00000
Pu4 Pu 0.00000 0.16349 0.90756 1.00000
Pu5 Pu 0.00000 0.95398 0.38992 1.00000
Pu6 Pu 0.00000 0.04602 0.61008 1.00000
Pu7 Pu 0.00000 0.45398 0.11008 1.00000
Pu8 Pu 0.00000 0.54602 0.88992 1.00000
Tc1 Tc 0.00000 0.64501 0.31973 1.00000
Tc2 Tc 0.00000 0.35499 0.68027 1.00000
Tc3 Tc 0.00000 0.14501 0.18027 1.00000
Tc4 Tc 0.00000 0.85499 0.81973 1.00000
B1 B 0.50000 0.55211 0.43172 1.00000
B2 B 0.50000 0.44789 0.56828 1.00000
B3 B 0.50000 0.05211 0.06828 1.00000
B4 B 0.50000 0.94789 0.93172 1.00000
B5 B 0.50000 0.74391 0.42280 1.00000
B6 B 0.50000 0.25609 0.57720 1.00000
B7 B 0.50000 0.24391 0.07720 1.00000
B8 B 0.50000 0.75609 0.92280 1.00000
B9 B 0.50000 0.80324 0.27237 1.00000
B10 B 0.50000 0.19676 0.72763 1.00000
B11 B 0.50000 0.30324 0.22763 1.00000
B12 B 0.50000 0.69676 0.77237 1.00000
B13 B 0.50000 0.64362 0.18767 1.00000
B14 B 0.50000 0.35638 0.81233 1.00000
B15 B 0.50000 0.14362 0.31233 1.00000
B16 B 0.50000 0.85638 0.68767 1.00000
B17 B 0.50000 0.98735 0.21858 1.00000
B18 B 0.50000 0.01265 0.78142 1.00000
B19 B 0.50000 0.48735 0.28142 1.00000
B20 B 0.50000 0.51265 0.71858 1.00000
B21 B 0.50000 0.64211 0.03906 1.00000
B22 B 0.50000 0.35789 0.96094 1.00000
B23 B 0.50000 0.14211 0.46094 1.00000
B24 B 0.50000 0.85789 0.53906 1.00000
