Ac2HI3
Alexandria ALEXAlex-ID: agm003428693 · 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
AB2C3_82_spg12
AcHI2 Ac AcI3
2022-02-13 08:34:28.280279
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428693).
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 agm003428693
data_agm003428693
_cell_length_a 4.38276
_cell_length_b 9.98709
_cell_length_c 11.67378
_cell_angle_alpha 71.19892
_cell_angle_beta 79.18035
_cell_angle_gamma 77.32494
_cell_volume 468.11976
_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
Ac1 Ac 0.86257 0.48268 0.79218 1.00000
Ac2 Ac 0.13743 0.51732 0.20782 1.00000
Ac3 Ac 0.58001 0.30238 0.53760 1.00000
Ac4 Ac 0.41999 0.69762 0.46240 1.00000
H1 H 0.42392 0.48922 0.66295 1.00000
H2 H 0.57608 0.51078 0.33705 1.00000
I1 I 0.04397 0.15052 0.76154 1.00000
I2 I 0.95603 0.84948 0.23846 1.00000
I3 I 0.66036 0.69039 0.98890 1.00000
I4 I 0.33964 0.30961 0.01110 1.00000
I5 I 0.77304 0.83108 0.62285 1.00000
I6 I 0.22696 0.16892 0.37715 1.00000
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