ErUF7
Alexandria ALEXAlex-ID: agm024109411 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
ErU3F15 ErF3
2025-01-02 11:00:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024109411).
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 agm024109411
data_agm024109411
_cell_length_a 6.24977
_cell_length_b 5.98586
_cell_length_c 8.52775
_cell_angle_alpha 90.00000
_cell_angle_beta 103.91337
_cell_angle_gamma 90.00000
_cell_volume 309.66509
_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
Er1 Er 0.64491 0.29726 0.18312 1.00000
Er2 Er 0.35509 0.79726 0.81688 1.00000
U1 U 0.81876 0.29661 0.72646 1.00000
U2 U 0.18124 0.79661 0.27354 1.00000
F1 F 0.49981 0.04934 0.99883 1.00000
F2 F 0.50019 0.54934 0.00117 1.00000
F3 F 0.90954 0.55437 0.25471 1.00000
F4 F 0.09046 0.05437 0.74529 1.00000
F5 F 0.91498 0.04561 0.25383 1.00000
F6 F 0.08502 0.54561 0.74617 1.00000
F7 F 0.42982 0.06242 0.29108 1.00000
F8 F 0.57018 0.56242 0.70892 1.00000
F9 F 0.77280 0.29744 0.46853 1.00000
F10 F 0.22720 0.79744 0.53147 1.00000
F11 F 0.86234 0.29963 0.98512 1.00000
F12 F 0.13766 0.79963 0.01488 1.00000
F13 F 0.42045 0.52118 0.28981 1.00000
F14 F 0.57955 0.02118 0.71019 1.00000
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