GaHg(H4Pt)2
Alexandria ALEXAlex-ID: agm007603940 · 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_998_spg2
GaPt2 HgH4 H10Pt GaPt
2025-05-28 04:56:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007603940).
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 agm007603940
data_agm007603940
_cell_length_a 4.49304
_cell_length_b 6.27533
_cell_length_c 5.85859
_cell_angle_alpha 74.96636
_cell_angle_beta 76.76706
_cell_angle_gamma 59.34747
_cell_volume 136.30853
_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
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.00000 0.99999 0.00000 1.00000
H1 H 0.72655 0.75800 0.93634 1.00000
H2 H 0.02744 0.66152 0.58567 1.00000
H3 H 0.27345 0.24202 0.06366 1.00000
H4 H 0.56582 0.10222 0.60821 1.00000
H5 H 0.43416 0.89779 0.39179 1.00000
H6 H 0.63540 0.52568 0.81960 1.00000
H7 H 0.36463 0.47431 0.18041 1.00000
H8 H 0.97256 0.33848 0.41433 1.00000
Pt1 Pt 0.59725 0.79753 0.68986 1.00000
Pt2 Pt 0.40274 0.20247 0.31013 1.00000
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