Er6Si2Os
Alexandria ALEXAlex-ID: agm005696191 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1783_spg71
Er5Os2 Er5Si3 Er3Os
2023-07-09 13:46:23.458673
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696191).
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 agm005696191
data_agm005696191
_cell_length_a 8.23170
_cell_length_b 8.23170
_cell_length_c 8.23170
_cell_angle_alpha 107.50372
_cell_angle_beta 110.95477
_cell_angle_gamma 109.97448
_cell_volume 428.97387
_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 0.43589 0.26105 0.17483 1.00000
Er2 Er 0.56411 0.73895 0.82517 1.00000
Er3 Er 0.91378 0.73894 0.17483 1.00000
Er4 Er 0.08622 0.26105 0.82517 1.00000
Er5 Er 0.18691 0.73837 0.92529 1.00000
Er6 Er 0.81309 0.26163 0.07471 1.00000
Er7 Er 0.81309 0.73837 0.55146 1.00000
Er8 Er 0.18691 0.26163 0.44854 1.00000
Er9 Er 0.29225 0.96173 0.66948 1.00000
Er10 Er 0.70775 0.03827 0.33052 1.00000
Er11 Er 0.70775 0.37723 0.66948 1.00000
Er12 Er 0.29225 0.62277 0.33052 1.00000
Si1 Si 0.50000 0.37950 0.87950 1.00000
Si2 Si 0.50000 0.62050 0.12050 1.00000
Si3 Si 0.34416 0.00000 0.34416 1.00000
Si4 Si 0.65584 1.00000 0.65584 1.00000
Os1 Os 0.00000 0.50000 0.50000 1.00000
Os2 Os 0.00000 0.00000 0.00000 1.00000
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