EuHfF7
Alexandria ALEXAlex-ID: agm005257548 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_80_spg2
EuHfF7
2024-02-19 11:50:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257548).
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 agm005257548
data_agm005257548
_cell_length_a 5.89377
_cell_length_b 6.17034
_cell_length_c 8.41669
_cell_angle_alpha 77.42425
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 298.74268
_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
Eu1 Eu 0.30028 0.15758 0.31117 1.00000
Eu2 Eu 0.80028 0.84242 0.68883 1.00000
Hf1 Hf 0.29335 0.31353 0.77646 1.00000
Hf2 Hf 0.79335 0.68647 0.22354 1.00000
F1 F 0.09542 0.95900 0.51688 1.00000
F2 F 0.59542 0.04100 0.48312 1.00000
F3 F 0.55882 0.44593 0.23525 1.00000
F4 F 0.05882 0.55407 0.76475 1.00000
F5 F 0.02704 0.44273 0.24488 1.00000
F6 F 0.52704 0.55727 0.75512 1.00000
F7 F 0.02799 0.92541 0.20897 1.00000
F8 F 0.52799 0.07459 0.79103 1.00000
F9 F 0.29853 0.26901 0.01900 1.00000
F10 F 0.79853 0.73099 0.98100 1.00000
F11 F 0.28839 0.35749 0.53292 1.00000
F12 F 0.78839 0.64251 0.46708 1.00000
F13 F 0.53380 0.90210 0.20862 1.00000
F14 F 0.03380 0.09790 0.79138 1.00000
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