La(TlH4)3
Alexandria ALEXAlex-ID: agm082514031 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C12_1209_spg1
TlH3 LaH3
2025-06-15 16:16:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082514031).
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 agm082514031
data_agm082514031
_cell_length_a 10.34171
_cell_length_b 4.59642
_cell_length_c 6.09634
_cell_angle_alpha 84.98978
_cell_angle_beta 85.70953
_cell_angle_gamma 94.72963
_cell_volume 286.71459
_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
La1 La 0.76594 0.98275 0.11233 1.00000
Tl1 Tl 0.43966 0.44257 0.04252 1.00000
Tl2 Tl 0.52724 0.89838 0.56452 1.00000
Tl3 Tl 0.88410 0.38463 0.50634 1.00000
H1 H 0.61630 0.76375 0.89550 1.00000
H2 H 0.46345 0.21320 0.74530 1.00000
H3 H 0.01695 0.72580 0.00016 1.00000
H4 H 0.58040 0.18457 0.17056 1.00000
H5 H 0.85652 0.76418 0.46302 1.00000
H6 H 0.97898 0.21724 0.29903 1.00000
H7 H 0.72435 0.16351 0.46247 1.00000
H8 H 0.17176 0.87413 0.45928 1.00000
H9 H 0.79847 0.49035 0.08080 1.00000
H10 H 0.91018 0.25970 0.78743 1.00000
H11 H 0.21199 0.75942 0.41568 1.00000
H12 H 0.05372 0.87583 0.99507 1.00000
获取直接链接