Sr3Zn7Cu4
Alexandria ALEXAlex-ID: agm005698646 · 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
A3B4C7_31_spg12
SrZn2 SrZn3Cu2 SrZnCu2
2023-06-29 16:27:34.228412
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698646).
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 agm005698646
data_agm005698646
_cell_length_a 4.35748
_cell_length_b 8.28405
_cell_length_c 8.57315
_cell_angle_alpha 69.26742
_cell_angle_beta 75.27767
_cell_angle_gamma 74.75161
_cell_volume 274.75704
_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
Sr1 Sr 0.30244 0.20024 0.19488 1.00000
Sr2 Sr 0.69756 0.79976 0.80512 1.00000
Sr3 Sr 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.32324 0.83776 0.51575 1.00000
Zn2 Zn 0.50100 0.20786 0.79014 1.00000
Zn3 Zn 0.86688 0.35893 0.90730 1.00000
Zn4 Zn 0.67675 0.16224 0.48425 1.00000
Zn5 Zn 0.13312 0.64107 0.09270 1.00000
Zn6 Zn 0.00000 0.00000 0.00000 1.00000
Zn7 Zn 0.49900 0.79214 0.20986 1.00000
Cu1 Cu 0.66322 0.47767 0.19589 1.00000
Cu2 Cu 0.33678 0.52233 0.80411 1.00000
Cu3 Cu 0.88142 0.90659 0.33056 1.00000
Cu4 Cu 0.11858 0.09341 0.66944 1.00000
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