Tm(HI2)3
Alexandria ALEXAlex-ID: agm071464784 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_2645_spg212
H6I I TmI3
2024-09-10 02:13:19.064786
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071464784).
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 agm071464784
data_agm071464784
_cell_length_a 12.21520
_cell_length_b 12.21520
_cell_length_c 12.21520
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1822.64414
_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 0.62500 0.62500 0.62500 1.00000
Tm2 Tm 0.87500 0.37500 0.12500 1.00000
Tm3 Tm 0.37500 0.12500 0.87500 1.00000
Tm4 Tm 0.12500 0.87500 0.37500 1.00000
H1 H 0.62500 0.24816 0.00184 1.00000
H2 H 0.87500 0.75184 0.50184 1.00000
H3 H 0.37500 0.74816 0.49816 1.00000
H4 H 0.12500 0.25184 0.99816 1.00000
H5 H 0.00184 0.62500 0.24816 1.00000
H6 H 0.50184 0.87500 0.75184 1.00000
H7 H 0.49816 0.37500 0.74816 1.00000
H8 H 0.99816 0.12500 0.25184 1.00000
H9 H 0.24816 0.00184 0.62500 1.00000
H10 H 0.75184 0.50184 0.87500 1.00000
H11 H 0.74816 0.49816 0.37500 1.00000
H12 H 0.25184 0.99816 0.12500 1.00000
I1 I 0.89265 0.62124 0.13406 1.00000
I2 I 0.60735 0.37876 0.63406 1.00000
I3 I 0.10735 0.12124 0.36594 1.00000
I4 I 0.39265 0.87876 0.86594 1.00000
I5 I 0.13406 0.89265 0.62124 1.00000
I6 I 0.63406 0.60735 0.37876 1.00000
I7 I 0.36594 0.10735 0.12124 1.00000
I8 I 0.86594 0.39265 0.87876 1.00000
I9 I 0.62124 0.13406 0.89265 1.00000
I10 I 0.37876 0.63406 0.60735 1.00000
I11 I 0.12124 0.36594 0.10735 1.00000
I12 I 0.87876 0.86594 0.39265 1.00000
I13 I 0.87124 0.64265 0.61594 1.00000
I14 I 0.62876 0.35735 0.11594 1.00000
I15 I 0.37124 0.85735 0.38406 1.00000
I16 I 0.12876 0.14265 0.88406 1.00000
I17 I 0.14265 0.88406 0.12876 1.00000
I18 I 0.85735 0.38406 0.37124 1.00000
I19 I 0.35735 0.11594 0.62876 1.00000
I20 I 0.64265 0.61594 0.87124 1.00000
I21 I 0.38406 0.37124 0.85735 1.00000
I22 I 0.88406 0.12876 0.14265 1.00000
I23 I 0.61594 0.87124 0.64265 1.00000
I24 I 0.11594 0.62876 0.35735 1.00000
