AlZn2CrH8
Alexandria ALEXAlex-ID: agm007208097 · 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_387_spg2
ZnH2 AlH3 CrH
2024-01-28 11:50:48.304600
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007208097).
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 agm007208097
data_agm007208097
_cell_length_a 5.13092
_cell_length_b 5.09578
_cell_length_c 4.53182
_cell_angle_alpha 78.60614
_cell_angle_beta 104.45411
_cell_angle_gamma 116.71675
_cell_volume 101.98926
_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
Al1 Al 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.70247 0.28954 0.46352 1.00000
Zn2 Zn 0.29753 0.71046 0.53648 1.00000
Cr1 Cr 0.00000 0.50000 0.00000 1.00000
H1 H 0.31756 0.08413 0.33712 1.00000
H2 H 0.33103 0.56798 0.24561 1.00000
H3 H 0.68244 0.91587 0.66288 1.00000
H4 H 0.17254 0.84836 0.81758 1.00000
H5 H 0.82746 0.15164 0.18242 1.00000
H6 H 0.21356 0.38770 0.86775 1.00000
H7 H 0.78644 0.61230 0.13225 1.00000
H8 H 0.66897 0.43202 0.75439 1.00000
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