Sr3(ZnCd)4
Alexandria ALEXAlex-ID: agm005694749 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_125_spg71
Sr3Zn8 SrCd2 SrZn5
2023-07-02 02:40:49.039884
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694749).
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 agm005694749
data_agm005694749
_cell_length_a 4.31337
_cell_length_b 4.66795
_cell_length_c 14.73029
_cell_angle_alpha 81.00472
_cell_angle_beta 81.72949
_cell_angle_gamma 90.12615
_cell_volume 289.80154
_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 0.14884 0.64939 0.70434 1.00000
Sr2 Sr 0.85119 0.35063 0.29566 1.00000
Sr3 Sr 0.00001 0.00001 0.00000 1.00000
Zn1 Zn 0.54642 0.54693 0.90877 1.00000
Zn2 Zn 0.45360 0.45309 0.09122 1.00000
Zn3 Zn 0.30756 0.80819 0.38153 1.00000
Zn4 Zn 0.69247 0.19184 0.61847 1.00000
Cd1 Cd 0.59739 0.09668 0.80845 1.00000
Cd2 Cd 0.25251 0.25197 0.49588 1.00000
Cd3 Cd 0.74752 0.74805 0.50412 1.00000
Cd4 Cd 0.40264 0.90335 0.19155 1.00000
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