Dy6Ag3Os2Rh
Alexandria ALEXAlex-ID: agm045004192 · 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
AB2C3D6_436_spg12
DyOs2 Dy5Rh3 Dy4Ag3Os Dy2AgRh
2024-08-24 23:44:33.594551
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045004192).
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 agm045004192
data_agm045004192
_cell_length_a 4.85402
_cell_length_b 7.65662
_cell_length_c 8.23864
_cell_angle_alpha 68.20197
_cell_angle_beta 72.94114
_cell_angle_gamma 71.78700
_cell_volume 264.54399
_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 0.42454 0.92484 0.22513 1.00000
Dy2 Dy 0.24276 0.73908 0.77608 1.00000
Dy3 Dy 0.57546 0.07516 0.77487 1.00000
Dy4 Dy 0.09284 0.58944 0.22407 1.00000
Dy5 Dy 0.75724 0.26092 0.22392 1.00000
Dy6 Dy 0.90716 0.41056 0.77593 1.00000
Ag1 Ag 0.16739 0.16583 0.50038 1.00000
Ag2 Ag 0.83261 0.83417 0.49962 1.00000
Ag3 Ag 0.50000 0.50000 0.50000 1.00000
Os1 Os 0.33405 0.33168 0.00008 1.00000
Os2 Os 0.66595 0.66832 0.99992 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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