K2HoBiSe4
Alexandria ALEXAlex-ID: agm091247576 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_200_spg12
KBiSe2 KHoSe2
2025-07-01 02:14:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091247576).
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 agm091247576
data_agm091247576
_cell_length_a 4.23134
_cell_length_b 7.36886
_cell_length_c 8.20734
_cell_angle_alpha 98.37367
_cell_angle_beta 104.88802
_cell_angle_gamma 89.99857
_cell_volume 244.49120
_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 0.49559 0.06336 0.49332 1.00000
K2 K 0.99756 0.55965 0.49594 1.00000
Ho1 Ho 0.25283 0.64661 0.00470 1.00000
Bi1 Bi 0.75013 0.14621 0.99941 1.00000
Se1 Se 0.14667 0.93512 0.79244 1.00000
Se2 Se 0.85278 0.83958 0.20610 1.00000
Se3 Se 0.64994 0.45404 0.79870 1.00000
Se4 Se 0.35451 0.35543 0.20939 1.00000
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