Cd2AgMoH8
Alexandria ALEXAlex-ID: agm007528126 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_296_spg119
CdAg3 CdH4 Ag MoH
2024-02-08 02:32:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007528126).
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 agm007528126
data_agm007528126
_cell_length_a 5.92870
_cell_length_b 5.92870
_cell_length_c 5.92870
_cell_angle_alpha 132.82788
_cell_angle_beta 132.82788
_cell_angle_gamma 68.92458
_cell_volume 110.03276
_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 0.00000 0.00000 1.00000
Cd2 Cd 0.25000 0.75000 0.50000 1.00000
Ag1 Ag 0.75000 0.25000 0.50000 1.00000
Mo1 Mo 0.50000 0.50000 0.00000 1.00000
H1 H 0.83340 0.37845 0.98833 1.00000
H2 H 0.39011 0.37845 0.54505 1.00000
H3 H 0.15493 0.16660 0.54505 1.00000
H4 H 0.62155 0.60989 0.45495 1.00000
H5 H 0.39011 0.84507 0.01167 1.00000
H6 H 0.15493 0.60989 0.98833 1.00000
H7 H 0.83340 0.84507 0.45495 1.00000
H8 H 0.62155 0.16660 0.01167 1.00000
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