Al2TlZnH8
Alexandria ALEXAlex-ID: agm007604652 · 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
ABC2D8_2009_spg1
TlH3 AlH3 Zn Tl
2024-02-09 00:46:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007604652).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007604652
data_agm007604652
_cell_length_a 4.21731
_cell_length_b 6.61787
_cell_length_c 6.20926
_cell_angle_alpha 93.40590
_cell_angle_beta 81.44731
_cell_angle_gamma 79.18014
_cell_volume 167.64244
_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
Al1 Al 0.50623 0.70642 0.09681 1.00000
Al2 Al 0.51017 0.32077 0.94220 1.00000
Tl1 Tl 0.88867 0.36830 0.43221 1.00000
Zn1 Zn 0.00931 0.02576 0.99738 1.00000
H1 H 0.44663 0.70635 0.36155 1.00000
H2 H 0.33555 0.82653 0.89300 1.00000
H3 H 0.37971 0.35160 0.70890 1.00000
H4 H 0.23482 0.52855 0.09021 1.00000
H5 H 0.77360 0.50517 0.93830 1.00000
H6 H 0.78281 0.87069 0.11775 1.00000
H7 H 0.28309 0.16184 0.09187 1.00000
H8 H 0.85525 0.12144 0.78702 1.00000
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