Sr4PdPt2
Alexandria ALEXAlex-ID: agm005994140 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1167_spg8
SrPd Sr3Pt2
2023-10-16 03:03:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994140).
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 agm005994140
data_agm005994140
_cell_length_a 7.60176
_cell_length_b 7.60219
_cell_length_c 8.19391
_cell_angle_alpha 105.31656
_cell_angle_beta 105.31358
_cell_angle_gamma 75.23292
_cell_volume 431.68111
_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 0.11941 0.11935 0.83000 1.00000
Sr2 Sr 0.62223 0.62224 0.34543 1.00000
Sr3 Sr 0.12686 0.12686 0.34509 1.00000
Sr4 Sr 0.62933 0.13728 0.97192 1.00000
Sr5 Sr 0.13722 0.62928 0.97193 1.00000
Sr6 Sr 0.61471 0.61476 0.82510 1.00000
Sr7 Sr 0.15064 0.64544 0.47356 1.00000
Sr8 Sr 0.64545 0.15065 0.47357 1.00000
Pd1 Pd 0.83688 0.83692 0.19074 1.00000
Pd2 Pd 0.83458 0.83457 0.69788 1.00000
Pt1 Pt 0.33609 0.33611 0.69665 1.00000
Pt2 Pt 0.33879 0.33876 0.19419 1.00000
Pt3 Pt 0.92872 0.42906 0.61697 1.00000
Pt4 Pt 0.42908 0.92873 0.61696 1.00000
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