Pm(HI2)2
Alexandria ALEXAlex-ID: agm005997516 · 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
AB2C4_1847_spg65
H6I PmI3 I
2023-07-10 08:00:02.588171
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997516).
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 agm005997516
data_agm005997516
_cell_length_a 4.17204
_cell_length_b 12.25334
_cell_length_c 7.64053
_cell_angle_alpha 49.31974
_cell_angle_beta 91.29609
_cell_angle_gamma 69.43846
_cell_volume 259.35290
_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
Pm1 Pm 0.00000 0.50000 0.00000 1.00000
H1 H 0.85042 0.18371 0.56377 1.00000
H2 H 0.14958 0.81629 0.43623 1.00000
I1 I 0.34174 0.65669 0.07950 1.00000
I2 I 0.64689 0.82086 0.42793 1.00000
I3 I 0.65826 0.34331 0.92050 1.00000
I4 I 0.35311 0.17914 0.57207 1.00000
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