Mn(InH4)2
Alexandria ALEXAlex-ID: agm006458722 · 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
AB2C8_1454_spg12
InH10 InH2 MnH2
2023-12-26 12:00:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006458722).
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 agm006458722
data_agm006458722
_cell_length_a 3.11806
_cell_length_b 5.14669
_cell_length_c 7.04269
_cell_angle_alpha 108.67712
_cell_angle_beta 102.78944
_cell_angle_gamma 90.00000
_cell_volume 104.10295
_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
H1 H 0.62199 0.04034 0.24398 1.00000
H2 H 0.50814 0.69536 0.01627 1.00000
H3 H 0.28693 0.35071 0.57387 1.00000
H4 H 0.95773 0.09356 0.91546 1.00000
H5 H 0.71307 0.64930 0.42613 1.00000
H6 H 0.49186 0.30464 0.98373 1.00000
H7 H 0.37801 0.95966 0.75602 1.00000
H8 H 0.04227 0.90644 0.08454 1.00000
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
In1 In 0.13518 0.39428 0.27036 1.00000
In2 In 0.86482 0.60572 0.72964 1.00000
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