Na4Tl3Hg4
Alexandria ALEXAlex-ID: agm005705266 · 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
A3B4C4_146_spg12
Na4Hg7 NaTl2 NaHg
2023-07-02 02:17:09.695661
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705266).
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 agm005705266
data_agm005705266
_cell_length_a 3.70288
_cell_length_b 8.30620
_cell_length_c 11.35033
_cell_angle_alpha 111.46149
_cell_angle_beta 99.38791
_cell_angle_gamma 90.00000
_cell_volume 319.86565
_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
Na1 Na 0.74972 0.24972 0.49944 1.00000
Na2 Na 0.25028 0.75028 0.50056 1.00000
Na3 Na 0.50000 0.81001 1.00000 1.00000
Na4 Na 0.50000 0.18999 0.00000 1.00000
Tl1 Tl 0.88749 0.88750 0.77499 1.00000
Tl2 Tl 0.11251 0.11250 0.22501 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Hg1 Hg 0.64642 0.46054 0.29285 1.00000
Hg2 Hg 0.35357 0.16768 0.70715 1.00000
Hg3 Hg 0.35358 0.53946 0.70715 1.00000
Hg4 Hg 0.64643 0.83232 0.29285 1.00000
获取直接链接