Li4YI8
Alexandria ALEXAlex-ID: agm097600642 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1608_spg8
YI3 I LiI
2025-06-16 12:40:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097600642).
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 agm097600642
data_agm097600642
_cell_length_a 4.55594
_cell_length_b 11.10354
_cell_length_c 11.65714
_cell_angle_alpha 117.57285
_cell_angle_beta 85.35122
_cell_angle_gamma 93.48964
_cell_volume 520.82271
_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
Li1 Li 0.78607 0.83659 0.00416 1.00000
Li2 Li 0.78233 0.03472 0.54301 1.00000
Li3 Li 0.30767 0.42381 0.83451 1.00000
Li4 Li 0.85688 0.57287 0.58100 1.00000
Y1 Y 0.31070 0.19048 0.12606 1.00000
I1 I 0.78783 0.30357 0.33108 1.00000
I2 I 0.83103 0.05057 0.92585 1.00000
I3 I 0.73576 0.76852 0.37645 1.00000
I4 I 0.83152 0.56838 0.82111 1.00000
I5 I 0.33683 0.42233 0.07388 1.00000
I6 I 0.28792 0.17948 0.61956 1.00000
I7 I 0.26619 0.93058 0.15962 1.00000
I8 I 0.37927 0.71810 0.60370 1.00000
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