Er3Si8Os3
Alexandria ALEXAlex-ID: agm005686410 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_19_spg12
Er5(Si7Os2)2 ErSi Er2Si5Os3
2023-06-29 11:08:05.632792
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686410).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005686410
data_agm005686410
_cell_length_a 4.17159
_cell_length_b 7.76113
_cell_length_c 8.35252
_cell_angle_alpha 62.84234
_cell_angle_beta 75.53902
_cell_angle_gamma 74.41017
_cell_volume 229.19744
_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 0.29484 0.75320 0.65711 1.00000
Er2 Er 0.70516 0.24680 0.34289 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.11750 0.14739 0.61761 1.00000
Si2 Si 0.88250 0.85261 0.38239 1.00000
Si3 Si 0.85980 0.44039 0.84000 1.00000
Si4 Si 0.14020 0.55961 0.16000 1.00000
Si5 Si 0.51565 0.66886 0.29984 1.00000
Si6 Si 0.48435 0.33114 0.70016 1.00000
Si7 Si 0.36211 0.02350 0.25228 1.00000
Si8 Si 0.63789 0.97650 0.74772 1.00000
Os1 Os 0.00000 0.50000 0.50000 1.00000
Os2 Os 0.67397 0.65831 0.99376 1.00000
Os3 Os 0.32603 0.34169 0.00624 1.00000
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