Sr2CaZn3
Alexandria ALEXAlex-ID: agm017361573 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_936_spg15
CaZn SrZn
2025-04-13 13:35:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017361573).
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 agm017361573
data_agm017361573
_cell_length_a 8.59562
_cell_length_b 8.59562
_cell_length_c 7.66033
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.19373
_cell_volume 339.08593
_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 0.50000 0.50000 0.50000 1.00000
Sr2 Sr 0.50000 0.50000 0.00000 1.00000
Sr3 Sr 0.83400 0.16600 0.00000 1.00000
Sr4 Sr 0.16600 0.83400 0.00000 1.00000
Ca1 Ca 0.83288 0.16712 0.50000 1.00000
Ca2 Ca 0.16712 0.83288 0.50000 1.00000
Zn1 Zn 0.32930 0.67070 0.26838 1.00000
Zn2 Zn 0.00000 0.00000 0.73821 1.00000
Zn3 Zn 0.67070 0.32930 0.73162 1.00000
Zn4 Zn 0.32930 0.67070 0.73162 1.00000
Zn5 Zn 0.67070 0.32930 0.26838 1.00000
Zn6 Zn 0.00000 0.00000 0.26179 1.00000
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