K2Eu2O2F7
Alexandria ALEXAlex-ID: agm078218042 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C2D7_50_spg5
KO2F KEu2F6
2025-01-09 20:46:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078218042).
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 agm078218042
data_agm078218042
_cell_length_a 6.80681
_cell_length_b 6.80681
_cell_length_c 6.61226
_cell_angle_alpha 68.24023
_cell_angle_beta 111.75977
_cell_angle_gamma 124.09254
_cell_volume 230.28513
_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 0.89409 0.05063 0.18724 1.00000
K2 K 0.05063 0.89409 0.81276 1.00000
Eu1 Eu 0.23680 0.61313 0.51644 1.00000
Eu2 Eu 0.61313 0.23680 0.48356 1.00000
O1 O 0.52340 0.49903 0.91685 1.00000
O2 O 0.49903 0.52340 0.08315 1.00000
F1 F 0.64167 0.89714 0.48786 1.00000
F2 F 0.89714 0.64167 0.51214 1.00000
F3 F 0.97757 0.26639 0.75553 1.00000
F4 F 0.26639 0.97757 0.24447 1.00000
F5 F 0.90171 0.41224 0.25159 1.00000
F6 F 0.41224 0.90171 0.74841 1.00000
F7 F 0.32809 0.32809 0.50000 1.00000
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