K3Ho2Cl9
Alexandria ALEXAlex-ID: agm005640072 · 空间群: R-3c (#167)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_26_spg167
KHo2Cl7 K3HoCl6
2023-06-14 00:08:41.931306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640072).
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 agm005640072
data_agm005640072
_cell_length_a 9.61486
_cell_length_b 9.61486
_cell_length_c 9.61486
_cell_angle_alpha 84.74779
_cell_angle_beta 84.74777
_cell_angle_gamma 84.74780
_cell_volume 878.29661
_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 0.43728 0.75000 0.06272 1.00000
K2 K 0.25000 0.93728 0.56272 1.00000
K3 K 0.93728 0.56272 0.25000 1.00000
K4 K 0.06272 0.43728 0.75000 1.00000
K5 K 0.75000 0.06272 0.43728 1.00000
K6 K 0.56272 0.25000 0.93728 1.00000
Ho1 Ho 0.14581 0.14581 0.14581 1.00000
Ho2 Ho 0.64581 0.64581 0.64581 1.00000
Ho3 Ho 0.85419 0.85419 0.85419 1.00000
Ho4 Ho 0.35419 0.35419 0.35419 1.00000
Cl1 Cl 0.72455 0.93576 0.07943 1.00000
Cl2 Cl 0.06424 0.92057 0.27545 1.00000
Cl3 Cl 0.25000 0.40312 0.09688 1.00000
Cl4 Cl 0.56424 0.77545 0.42057 1.00000
Cl5 Cl 0.59688 0.90312 0.75000 1.00000
Cl6 Cl 0.90312 0.75000 0.59688 1.00000
Cl7 Cl 0.22455 0.57943 0.43576 1.00000
Cl8 Cl 0.57943 0.43576 0.22455 1.00000
Cl9 Cl 0.92057 0.27545 0.06424 1.00000
Cl10 Cl 0.07943 0.72455 0.93576 1.00000
Cl11 Cl 0.42057 0.56424 0.77545 1.00000
Cl12 Cl 0.40312 0.09688 0.25000 1.00000
Cl13 Cl 0.77545 0.42057 0.56424 1.00000
Cl14 Cl 0.09688 0.25000 0.40312 1.00000
Cl15 Cl 0.43576 0.22455 0.57943 1.00000
Cl16 Cl 0.75000 0.59688 0.90312 1.00000
Cl17 Cl 0.93576 0.07943 0.72455 1.00000
Cl18 Cl 0.27545 0.06424 0.92057 1.00000
