Ac5Er6
Alexandria ALEXAlex-ID: agm008380452 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B6_66_spg12
Er Ac
2024-06-24 11:58:02.917413
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008380452).
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 agm008380452
data_agm008380452
_cell_length_a 6.42271
_cell_length_b 8.36240
_cell_length_c 8.38698
_cell_angle_alpha 107.53748
_cell_angle_beta 105.23645
_cell_angle_gamma 97.73743
_cell_volume 403.07445
_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
Ac1 Ac 0.64121 0.22409 0.54472 1.00000
Ac2 Ac 0.00000 0.50000 0.00000 1.00000
Ac3 Ac 0.55151 0.40237 0.18383 1.00000
Ac4 Ac 0.35879 0.77591 0.45528 1.00000
Ac5 Ac 0.44849 0.59763 0.81617 1.00000
Er1 Er 0.09230 0.30385 0.36067 1.00000
Er2 Er 0.18065 0.12564 0.72832 1.00000
Er3 Er 0.81935 0.87436 0.27168 1.00000
Er4 Er 0.90770 0.69615 0.63933 1.00000
Er5 Er 0.26483 0.95486 0.08393 1.00000
Er6 Er 0.73517 0.04514 0.91607 1.00000
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