Tm(AlI4)2
Alexandria ALEXAlex-ID: agm003523911 · 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
AB2C8_38_spg12
AlI3 Al TmI3
2022-03-13 15:44:44.259255
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523911).
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 agm003523911
data_agm003523911
_cell_length_a 7.20884
_cell_length_b 8.95803
_cell_length_c 8.95803
_cell_angle_alpha 76.90870
_cell_angle_beta 83.32837
_cell_angle_gamma 83.32837
_cell_volume 557.21280
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.65173 0.80673 0.80673 1.00000
Al2 Al 0.34827 0.19327 0.19327 1.00000
I1 I 0.22592 0.27401 0.91350 1.00000
I2 I 0.77408 0.08650 0.72599 1.00000
I3 I 0.27597 0.81310 0.81310 1.00000
I4 I 0.72403 0.18690 0.18690 1.00000
I5 I 0.22592 0.91350 0.27401 1.00000
I6 I 0.77408 0.72599 0.08650 1.00000
I7 I 0.79470 0.63028 0.63028 1.00000
I8 I 0.20530 0.36972 0.36972 1.00000
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