Tb2TlHg8
Alexandria ALEXAlex-ID: agm005949941 · 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
AB2C8_259_spg8
Tl4Hg3 TbHg3 Hg
2023-10-01 08:41:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005949941).
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 agm005949941
data_agm005949941
_cell_length_a 4.99384
_cell_length_b 7.01623
_cell_length_c 9.18494
_cell_angle_alpha 112.45449
_cell_angle_beta 105.77430
_cell_angle_gamma 90.00002
_cell_volume 284.26375
_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 0.19838 0.69839 0.39677 1.00000
Tb2 Tb 0.80162 0.30161 0.60323 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.64382 0.86906 0.28764 1.00000
Hg2 Hg 0.35618 0.58142 0.71235 1.00000
Hg3 Hg 0.16890 0.16890 0.33780 1.00000
Hg4 Hg 0.00000 0.29286 0.00000 1.00000
Hg5 Hg 0.83110 0.83110 0.66220 1.00000
Hg6 Hg 0.64382 0.41858 0.28765 1.00000
Hg7 Hg 0.35618 0.13094 0.71236 1.00000
Hg8 Hg 1.00000 0.70714 1.00000 1.00000
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