Th5(HI)2
Alexandria ALEXAlex-ID: agm007202306 · 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
A2B2C5_304_spg12
Th(HI)2 Th
2024-05-29 04:43:49.516360
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007202306).
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 agm007202306
data_agm007202306
_cell_length_a 7.65705
_cell_length_b 7.65705
_cell_length_c 8.89008
_cell_angle_alpha 74.79675
_cell_angle_beta 74.79675
_cell_angle_gamma 27.37412
_cell_volume 230.76559
_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
Th1 Th 0.26736 0.26736 0.66375 1.00000
Th2 Th 0.73264 0.73264 0.33625 1.00000
Th3 Th 0.14228 0.14228 0.05818 1.00000
Th4 Th 0.85772 0.85772 0.94182 1.00000
Th5 Th 0.00000 0.00000 0.50000 1.00000
H1 H 0.15942 0.15942 0.49393 1.00000
H2 H 0.84058 0.84058 0.50607 1.00000
I1 I 0.44044 0.44044 0.22465 1.00000
I2 I 0.55956 0.55956 0.77535 1.00000
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