AcTl7Hg4
Alexandria ALEXAlex-ID: agm003668356 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_99_spg12
AcTlHg4 Tl
2022-04-20 08:34:06.475424
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668356).
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 agm003668356
data_agm003668356
_cell_length_a 6.51006
_cell_length_b 9.48819
_cell_length_c 7.39061
_cell_angle_alpha 74.00570
_cell_angle_beta 63.86879
_cell_angle_gamma 69.93649
_cell_volume 380.75996
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.73367 0.00524 0.52743 1.00000
Tl2 Tl 0.26633 0.99476 0.47257 1.00000
Tl3 Tl 0.01020 0.64905 0.33054 1.00000
Tl4 Tl 0.98980 0.35095 0.66946 1.00000
Tl5 Tl 0.27436 0.64402 0.80727 1.00000
Tl6 Tl 0.50000 0.00000 0.00000 1.00000
Tl7 Tl 0.72564 0.35598 0.19273 1.00000
Hg1 Hg 0.49329 0.32522 0.68820 1.00000
Hg2 Hg 0.50671 0.67478 0.31180 1.00000
Hg3 Hg 0.74666 0.67233 0.83435 1.00000
Hg4 Hg 0.25334 0.32767 0.16565 1.00000
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