CsTmI4
Alexandria ALEXAlex-ID: agm021290160 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_901_spg2
Cs3Tm2I9 TmI3
2025-01-18 09:35:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021290160).
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 agm021290160
data_agm021290160
_cell_length_a 7.47584
_cell_length_b 8.97429
_cell_length_c 10.34973
_cell_angle_alpha 101.99738
_cell_angle_beta 103.64261
_cell_angle_gamma 107.87933
_cell_volume 611.98817
_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
Cs1 Cs 0.25726 0.36307 0.64803 1.00000
Cs2 Cs 0.74274 0.63693 0.35197 1.00000
Tm1 Tm 0.16881 0.89852 0.87588 1.00000
Tm2 Tm 0.83119 0.10148 0.12412 1.00000
I1 I 0.26091 0.91993 0.61910 1.00000
I2 I 0.14033 0.43078 0.26726 1.00000
I3 I 0.09739 0.91129 0.15915 1.00000
I4 I 0.90261 0.08871 0.84085 1.00000
I5 I 0.85967 0.56922 0.73274 1.00000
I6 I 0.73909 0.08007 0.38090 1.00000
I7 I 0.51820 0.23802 0.02425 1.00000
I8 I 0.48180 0.76198 0.97575 1.00000
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