KTm(GaI3)2
Alexandria ALEXAlex-ID: agm004961663 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
KGaI3 TmI3 Ga
2022-07-24 00:45:33.213861
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004961663).
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 agm004961663
data_agm004961663
_cell_length_a 8.24986
_cell_length_b 8.24870
_cell_length_c 8.85415
_cell_angle_alpha 62.21874
_cell_angle_beta 62.21378
_cell_angle_gamma 59.97274
_cell_volume 439.67553
_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 0.81787 0.81801 0.54609 1.00000
Tm1 Tm 0.32709 0.32703 0.01881 1.00000
Ga1 Ga 0.51232 0.51219 0.46315 1.00000
Ga2 Ga 0.00456 0.00470 0.98608 1.00000
I1 I 0.56676 0.24219 0.23537 1.00000
I2 I 0.24214 0.95560 0.23537 1.00000
I3 I 0.95562 0.56700 0.23535 1.00000
I4 I 0.38634 0.71205 0.76486 1.00000
I5 I 0.71224 0.13639 0.76508 1.00000
I6 I 0.13666 0.38643 0.76504 1.00000
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