K3Ce(HoSe3)2
Alexandria ALEXAlex-ID: agm035808784 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_598_spg1
KCeSe2 KHoSe2
2025-03-11 08:51:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035808784).
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}
}
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# CIF generated by HEAS from Alexandria entry agm035808784
data_agm035808784
_cell_length_a 10.06369
_cell_length_b 10.06369
_cell_length_c 9.12504
_cell_angle_alpha 71.78735
_cell_angle_beta 108.21265
_cell_angle_gamma 155.55944
_cell_volume 362.29309
_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 0.50000 0.50000 0.00000 1.00000
K2 K 0.83396 0.16604 0.66754 1.00000
K3 K 0.16604 0.83396 0.33246 1.00000
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.83128 0.16872 0.16341 1.00000
Ho2 Ho 0.16872 0.83128 0.83659 1.00000
Se1 Se 0.33965 0.66035 0.38509 1.00000
Se2 Se 0.67706 0.32294 0.05729 1.00000
Se3 Se 0.66035 0.33965 0.61491 1.00000
Se4 Se 0.01299 0.98701 0.73460 1.00000
Se5 Se 0.98701 0.01299 0.26540 1.00000
Se6 Se 0.32294 0.67706 0.94271 1.00000
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