Ac2I5F
Alexandria ALEXAlex-ID: agm005996592 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_869_spg63
AcI2F AcI3
2023-09-08 14:36:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996592).
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 agm005996592
data_agm005996592
_cell_length_a 4.06889
_cell_length_b 8.41268
_cell_length_c 22.40822
_cell_angle_alpha 90.00002
_cell_angle_beta 90.00003
_cell_angle_gamma 103.99470
_cell_volume 744.27295
_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 0.74799 0.49599 0.33939 1.00000
Ac2 Ac 0.74799 0.49599 0.16061 1.00000
Ac3 Ac 0.25201 0.50401 0.66061 1.00000
Ac4 Ac 0.25201 0.50401 0.83939 1.00000
I1 I 0.89802 0.79603 0.88062 1.00000
I2 I 0.89802 0.79603 0.61938 1.00000
I3 I 0.34317 0.68635 0.42915 1.00000
I4 I 0.34317 0.68635 0.07085 1.00000
I5 I 0.38908 0.77816 0.25000 1.00000
I6 I 0.61092 0.22184 0.75000 1.00000
I7 I 0.65683 0.31365 0.57085 1.00000
I8 I 0.65683 0.31365 0.92915 1.00000
I9 I 0.10198 0.20397 0.11938 1.00000
I10 I 0.10198 0.20397 0.38062 1.00000
F1 F 0.79262 0.58524 0.75000 1.00000
F2 F 0.20739 0.41476 0.25000 1.00000
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