Ac3Yb7Ag2
Alexandria ALEXAlex-ID: agm101899232 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
Yb5Ag3 AcYb AcYb2
2025-05-15 11:10:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101899232).
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 agm101899232
data_agm101899232
_cell_length_a 11.07550
_cell_length_b 11.07550
_cell_length_c 11.07550
_cell_angle_alpha 36.98104
_cell_angle_beta 36.98104
_cell_angle_gamma 36.98104
_cell_volume 440.48869
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.85973 0.85973 0.85973 1.00000
Ac3 Ac 0.14027 0.14027 0.14027 1.00000
Yb1 Yb 0.50000 0.50000 0.50000 1.00000
Yb2 Yb 0.42468 0.42468 0.92962 1.00000
Yb3 Yb 0.92962 0.42468 0.42468 1.00000
Yb4 Yb 0.42468 0.92962 0.42468 1.00000
Yb5 Yb 0.57532 0.57532 0.07038 1.00000
Yb6 Yb 0.57532 0.07038 0.57532 1.00000
Yb7 Yb 0.07038 0.57532 0.57532 1.00000
Ag1 Ag 0.66607 0.66607 0.66607 1.00000
Ag2 Ag 0.33393 0.33393 0.33393 1.00000
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