MnAl2InH8
Alexandria ALEXAlex-ID: agm007192976 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_757_spg148
MnAl2H7 In InH2
2024-01-31 18:11:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007192976).
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 agm007192976
data_agm007192976
_cell_length_a 4.22545
_cell_length_b 4.22661
_cell_length_c 7.12346
_cell_angle_alpha 107.05274
_cell_angle_beta 90.19343
_cell_angle_gamma 119.96280
_cell_volume 103.63288
_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
Mn1 Mn 0.50303 0.99783 0.50009 1.00000
Al1 Al 0.20809 0.41018 0.61809 1.00000
Al2 Al 0.79556 0.58729 0.38220 1.00000
In1 In 0.95871 0.03277 0.99952 1.00000
H1 H 0.29571 0.57506 0.87012 1.00000
H2 H 0.72042 0.93374 0.65426 1.00000
H3 H 0.71396 0.41733 0.13016 1.00000
H4 H 0.77566 0.05548 0.34222 1.00000
H5 H 0.23458 0.94180 0.65992 1.00000
H6 H 0.28702 0.56760 0.34222 1.00000
H7 H 0.71936 0.42591 0.65974 1.00000
H8 H 0.28791 0.05501 0.34145 1.00000
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