Er6OsS2
Alexandria ALEXAlex-ID: agm002236628 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1_spg189
Er4S3 Er3Os Er
2018-07-08 21:34:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002236628).
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 agm002236628
data_agm002236628
_cell_length_a 3.94441
_cell_length_b 7.77004
_cell_length_c 7.77004
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 206.23323
_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
S1 S 0.00000 0.66667 0.33333 1.00000
S2 S 0.00000 0.33333 0.66667 1.00000
Os1 Os 0.50000 0.00000 0.00000 1.00000
Er1 Er 0.00000 0.74647 0.74647 1.00000
Er2 Er 0.00000 0.25353 1.00000 1.00000
Er3 Er 0.00000 1.00000 0.25353 1.00000
Er4 Er 0.50000 0.40302 0.40302 1.00000
Er5 Er 0.50000 0.59698 0.00000 1.00000
Er6 Er 0.50000 0.00000 0.59698 1.00000
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