CdSi(H4Pt)2
Alexandria ALEXAlex-ID: agm007446804 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_1906_spg8
Cd2Pt CdHPt SiH20 SiPt2
2024-02-09 14:19:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007446804).
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 agm007446804
data_agm007446804
_cell_length_a 4.63385
_cell_length_b 4.32459
_cell_length_c 7.91927
_cell_angle_alpha 79.44551
_cell_angle_beta 62.33241
_cell_angle_gamma 61.18763
_cell_volume 122.98321
_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
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
H1 H 0.12713 0.57418 0.08172 1.00000
H2 H 0.44120 0.83701 0.77946 1.00000
H3 H 0.66309 0.22066 0.73035 1.00000
H4 H 0.87287 0.42582 0.91828 1.00000
H5 H 0.33691 0.77934 0.26965 1.00000
H6 H 0.55880 0.16299 0.22054 1.00000
H7 H 0.81289 0.32227 0.34209 1.00000
H8 H 0.18711 0.67773 0.65791 1.00000
Pt1 Pt 0.76540 0.83995 0.82287 1.00000
Pt2 Pt 0.23460 0.16005 0.17713 1.00000
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