PmIn(H4Pt)2
Alexandria ALEXAlex-ID: agm007409432 · 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_1278_spg2
PmH5Pt H2 InPt
2024-02-09 12:51:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007409432).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm007409432
data_agm007409432
_cell_length_a 4.67772
_cell_length_b 4.85115
_cell_length_c 7.97687
_cell_angle_alpha 74.33718
_cell_angle_beta 87.76401
_cell_angle_gamma 59.23929
_cell_volume 148.69362
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
H1 H 0.93146 0.41959 0.71081 1.00000
H2 H 0.45771 0.08821 0.85973 1.00000
H3 H 0.06854 0.58041 0.28919 1.00000
H4 H 0.92034 0.90470 0.70976 1.00000
H5 H 0.07966 0.09530 0.29024 1.00000
H6 H 0.45275 0.59476 0.85804 1.00000
H7 H 0.54725 0.40524 0.14196 1.00000
H8 H 0.54229 0.91179 0.14027 1.00000
Pt1 Pt 0.19419 0.49840 0.79127 1.00000
Pt2 Pt 0.80581 0.50160 0.20873 1.00000
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