MgCo(H3Os)2
Alexandria ALEXAlex-ID: agm007704162 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_262_spg15
CoH Mg2H6Os H2 Os
2024-03-15 22:03:40.616253
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007704162).
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 agm007704162
data_agm007704162
_cell_length_a 5.71892
_cell_length_b 5.71892
_cell_length_c 5.11447
_cell_angle_alpha 78.44760
_cell_angle_beta 78.44760
_cell_angle_gamma 95.66773
_cell_volume 158.87640
_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
Mg1 Mg 0.80010 0.19990 0.75000 1.00000
Mg2 Mg 0.19990 0.80010 0.25000 1.00000
Co1 Co 0.40707 0.59293 0.75000 1.00000
Co2 Co 0.59293 0.40707 0.25000 1.00000
H1 H 0.46805 0.87920 0.86270 1.00000
H2 H 0.12080 0.53195 0.63730 1.00000
H3 H 0.53195 0.12080 0.13730 1.00000
H4 H 0.87920 0.46805 0.36270 1.00000
H5 H 0.21196 0.11974 0.98231 1.00000
H6 H 0.88026 0.78804 0.51769 1.00000
H7 H 0.78804 0.88026 0.01769 1.00000
H8 H 0.11974 0.21196 0.48231 1.00000
H9 H 0.47671 0.33913 0.62181 1.00000
H10 H 0.66087 0.52329 0.87819 1.00000
H11 H 0.52329 0.66087 0.37819 1.00000
H12 H 0.33913 0.47671 0.12181 1.00000
Os1 Os 0.04867 0.32170 0.16075 1.00000
Os2 Os 0.67830 0.95133 0.33925 1.00000
Os3 Os 0.95133 0.67830 0.83925 1.00000
Os4 Os 0.32170 0.04867 0.66075 1.00000
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