K3HoEr2O6
Alexandria ALEXAlex-ID: agm035040887 · 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_125_spg2
KHoO2 KErO2
2024-11-08 13:04:13.616985
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035040887).
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 agm035040887
data_agm035040887
_cell_length_a 8.17750
_cell_length_b 8.17750
_cell_length_c 7.41492
_cell_angle_alpha 71.51158
_cell_angle_beta 71.51158
_cell_angle_gamma 24.35715
_cell_volume 193.43833
_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 0.50000 1.00000
K2 K 0.16684 0.16684 0.16697 1.00000
K3 K 0.83316 0.83316 0.83303 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.16686 0.16686 0.66630 1.00000
Er2 Er 0.83314 0.83314 0.33370 1.00000
O1 O 0.65253 0.65253 0.87907 1.00000
O2 O 0.31855 0.31855 0.54649 1.00000
O3 O 0.34747 0.34747 0.12093 1.00000
O4 O 0.98501 0.98501 0.21442 1.00000
O5 O 0.01499 0.01499 0.78558 1.00000
O6 O 0.68145 0.68145 0.45351 1.00000
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