Zn7Cu4Ag
Alexandria ALEXAlex-ID: agm003666485 · 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
AB4C7_85_spg12
Zn7Ag6 Zn8Cu5 ZnAg2
2022-04-08 20:44:28.098605
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666485).
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 agm003666485
data_agm003666485
_cell_length_a 4.63223
_cell_length_b 7.49150
_cell_length_c 6.16868
_cell_angle_alpha 80.30902
_cell_angle_beta 67.94704
_cell_angle_gamma 71.99103
_cell_volume 188.35392
_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
Zn1 Zn 0.78499 0.86625 0.56377 1.00000
Zn2 Zn 0.21501 0.13375 0.43623 1.00000
Zn3 Zn 0.06637 0.65256 0.21469 1.00000
Zn4 Zn 0.93363 0.34744 0.78531 1.00000
Zn5 Zn 0.34365 0.59186 0.72084 1.00000
Zn6 Zn 0.50000 0.00000 0.00000 1.00000
Zn7 Zn 0.65635 0.40814 0.27916 1.00000
Cu1 Cu 0.56846 0.21637 0.64672 1.00000
Cu2 Cu 0.43154 0.78363 0.35328 1.00000
Cu3 Cu 0.69734 0.65719 0.94812 1.00000
Cu4 Cu 0.30266 0.34281 0.05188 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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