K2MgTlI5
Alexandria ALEXAlex-ID: agm005162912 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_210_spg36
KTlI2 MgI2 KI
2023-01-16 06:48:34.900774
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005162912).
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 agm005162912
data_agm005162912
_cell_length_a 4.61778
_cell_length_b 10.13874
_cell_length_c 18.02379
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.16343
_cell_volume 821.67365
_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
K1 K 0.84390 0.68780 0.76494 1.00000
K2 K 0.05904 0.11809 0.65337 1.00000
K3 K 0.15610 0.31220 0.26494 1.00000
K4 K 0.94096 0.88191 0.15337 1.00000
Mg1 Mg 0.74882 0.49765 0.53622 1.00000
Mg2 Mg 0.25118 0.50235 0.03622 1.00000
Tl1 Tl 0.55657 0.11313 0.93826 1.00000
Tl2 Tl 0.44343 0.88687 0.43826 1.00000
I1 I 0.39368 0.78735 0.01677 1.00000
I2 I 0.73472 0.46945 0.92763 1.00000
I3 I 0.47699 0.95399 0.76717 1.00000
I4 I 0.23821 0.47642 0.65511 1.00000
I5 I 0.89295 0.78590 0.56450 1.00000
I6 I 0.60632 0.21265 0.51677 1.00000
I7 I 0.26528 0.53055 0.42763 1.00000
I8 I 0.52301 0.04601 0.26717 1.00000
I9 I 0.76179 0.52358 0.15511 1.00000
I10 I 0.10705 0.21410 0.06450 1.00000
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