Mn(CoH2)3
Alexandria ALEXAlex-ID: agm006480025 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_7_spg12
MnCo3H4 H2
2024-02-28 13:38:23.667032
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006480025).
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 agm006480025
data_agm006480025
_cell_length_a 4.41155
_cell_length_b 4.41155
_cell_length_c 4.41155
_cell_angle_alpha 60.61932
_cell_angle_beta 60.61932
_cell_angle_gamma 60.61932
_cell_volume 61.55888
_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 0.88826 0.88826 0.88826 1.00000
Co1 Co 0.37315 0.37315 0.37315 1.00000
Co2 Co 0.64196 0.64196 0.64196 1.00000
Co3 Co 0.13105 0.13105 0.13105 1.00000
H1 H 0.95715 0.31264 0.46670 1.00000
H2 H 0.31264 0.46670 0.95715 1.00000
H3 H 0.46670 0.95715 0.31264 1.00000
H4 H 0.02597 0.75692 0.44620 1.00000
H5 H 0.75692 0.44620 0.02597 1.00000
H6 H 0.44620 0.02597 0.75692 1.00000
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