Sr(GePt2)2
Alexandria ALEXAlex-ID: agm003461222 · 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
AB2C4_971_spg65
SrGePt3 Sr3Ge11Pt23 Sr(GePt)2
2022-02-17 15:12:12.000537
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003461222).
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 agm003461222
data_agm003461222
_cell_length_a 4.24013
_cell_length_b 4.23160
_cell_length_c 7.56472
_cell_angle_alpha 106.24188
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 130.31316
_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
Ge1 Ge 0.50000 0.59198 0.18396 1.00000
Ge2 Ge 0.50000 0.40802 0.81604 1.00000
Pt1 Pt 0.50000 0.81941 0.63883 1.00000
Pt2 Pt 0.00000 0.67859 0.35719 1.00000
Pt3 Pt 0.50000 0.18059 0.36117 1.00000
Pt4 Pt 0.00000 0.32141 0.64281 1.00000
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