KMg2Tl4In
Alexandria ALEXAlex-ID: agm004806830 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
K6Tl17 Mg4In3 Tl Mg2Tl
2022-07-17 02:20:51.018018
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004806830).
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 agm004806830
data_agm004806830
_cell_length_a 5.26471
_cell_length_b 5.26471
_cell_length_c 10.77805
_cell_angle_alpha 75.86348
_cell_angle_beta 75.86348
_cell_angle_gamma 60.00000
_cell_volume 248.21281
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.77193 0.77193 0.68420 1.00000
Mg2 Mg 0.22807 0.22807 0.31580 1.00000
Tl1 Tl 0.39923 0.39923 0.80232 1.00000
Tl2 Tl 0.87714 0.87714 0.36859 1.00000
Tl3 Tl 0.12286 0.12286 0.63141 1.00000
Tl4 Tl 0.60077 0.60077 0.19768 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
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