Y6Tc2Pb
Alexandria ALEXAlex-ID: agm005698115 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_712_spg71
Y3Tc YTc2 Y5Pb3
2023-07-10 15:17:59.166354
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698115).
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 agm005698115
data_agm005698115
_cell_length_a 8.61352
_cell_length_b 8.61352
_cell_length_c 8.61352
_cell_angle_alpha 104.97935
_cell_angle_beta 111.72645
_cell_angle_gamma 111.79911
_cell_volume 489.70476
_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
Y1 Y 0.47424 0.28335 0.19089 1.00000
Y2 Y 0.52576 0.71665 0.80911 1.00000
Y3 Y 0.90753 0.71665 0.19089 1.00000
Y4 Y 0.09247 0.28335 0.80911 1.00000
Y5 Y 0.21847 0.76332 0.98179 1.00000
Y6 Y 0.78153 0.23668 0.01821 1.00000
Y7 Y 0.78153 0.76332 0.54484 1.00000
Y8 Y 0.21847 0.23668 0.45516 1.00000
Y9 Y 0.29726 0.97945 0.68219 1.00000
Y10 Y 0.70274 0.02055 0.31781 1.00000
Y11 Y 0.70274 0.38493 0.68219 1.00000
Y12 Y 0.29726 0.61507 0.31781 1.00000
Tc1 Tc 0.50000 0.38609 0.88609 1.00000
Tc2 Tc 0.50000 0.61391 0.11391 1.00000
Tc3 Tc 0.37224 1.00000 0.37224 1.00000
Tc4 Tc 0.62776 0.00000 0.62776 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
获取直接链接