Y2MgAg6
Alexandria ALEXAlex-ID: agm005713436 · 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
AB2C6_1747_spg12
MgAg3 YAg2 MgAg
2023-07-08 17:07:40.247945
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005713436).
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 agm005713436
data_agm005713436
_cell_length_a 5.22966
_cell_length_b 5.25046
_cell_length_c 8.28411
_cell_angle_alpha 71.52450
_cell_angle_beta 81.04688
_cell_angle_gamma 60.58768
_cell_volume 187.93499
_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
Y1 Y 0.50000 0.83726 0.82548 1.00000
Y2 Y 0.50000 0.16274 0.17452 1.00000
Mg1 Mg 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.16452 0.83382 0.16879 1.00000
Ag2 Ag 0.83548 0.49739 0.16879 1.00000
Ag3 Ag 0.83548 0.16618 0.83121 1.00000
Ag4 Ag 0.16452 0.50261 0.83121 1.00000
Ag5 Ag 0.31676 0.35430 0.50000 1.00000
Ag6 Ag 0.68324 0.64570 0.50000 1.00000
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