SrMg2(ZnPt)2
Alexandria ALEXAlex-ID: agm024488602 · 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
AB2C2D2_16_spg166
SrMg2(ZnPt)2
2024-12-28 04:12:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024488602).
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 agm024488602
data_agm024488602
_cell_length_a 8.86657
_cell_length_b 8.86657
_cell_length_c 8.86657
_cell_angle_alpha 29.16943
_cell_angle_beta 29.16943
_cell_angle_gamma 29.16943
_cell_volume 146.49630
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.86486 0.86486 0.86486 1.00000
Mg2 Mg 0.13514 0.13514 0.13514 1.00000
Zn1 Zn 0.42090 0.42090 0.42090 1.00000
Zn2 Zn 0.57910 0.57910 0.57910 1.00000
Pt1 Pt 0.24149 0.24149 0.24149 1.00000
Pt2 Pt 0.75851 0.75851 0.75851 1.00000
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