CrIn(H4Pt)2
Alexandria ALEXAlex-ID: agm007606076 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_567_spg2
CrH In2Pt3 H10Pt InPt
2024-02-08 21:10:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007606076).
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 agm007606076
data_agm007606076
_cell_length_a 3.33650
_cell_length_b 4.63398
_cell_length_c 8.67387
_cell_angle_alpha 93.73733
_cell_angle_beta 67.52656
_cell_angle_gamma 110.86926
_cell_volume 115.40250
_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
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
H1 H 0.79862 0.41015 0.40608 1.00000
H2 H 0.14081 0.01613 0.36628 1.00000
H3 H 0.20138 0.58985 0.59392 1.00000
H4 H 0.10083 0.43376 0.11668 1.00000
H5 H 0.89917 0.56624 0.88332 1.00000
H6 H 0.51893 0.60127 0.28084 1.00000
H7 H 0.48107 0.39873 0.71916 1.00000
H8 H 0.85919 0.98387 0.63372 1.00000
Pt1 Pt 0.09720 0.69850 0.25051 1.00000
Pt2 Pt 0.90280 0.30150 0.74949 1.00000
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