DySn2(GeOs)4
Alexandria ALEXAlex-ID: agm020027697 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4D4_20_spg121
Dy2Ge5Os3 Os Sn Ge2Os
2025-01-04 06:13:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020027697).
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 agm020027697
data_agm020027697
_cell_length_a 6.63035
_cell_length_b 6.63035
_cell_length_c 6.63035
_cell_angle_alpha 117.96617
_cell_angle_beta 117.96617
_cell_angle_gamma 93.56034
_cell_volume 212.00126
_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
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.00000 0.50000 0.50000 1.00000
Sn2 Sn 0.50000 0.00000 0.50000 1.00000
Ge1 Ge 0.97828 0.97828 0.36023 1.00000
Ge2 Ge 0.61805 0.61805 0.63977 1.00000
Ge3 Ge 0.38195 0.02172 0.00000 1.00000
Ge4 Ge 0.02172 0.38195 0.00000 1.00000
Os1 Os 0.74404 0.06730 0.00000 1.00000
Os2 Os 0.06730 0.74404 0.00000 1.00000
Os3 Os 0.93270 0.93270 0.67674 1.00000
Os4 Os 0.25596 0.25596 0.32326 1.00000
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