In6CoH2
Alexandria ALEXAlex-ID: agm097181968 · 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
AB2C6_6260_spg99
CoH In InH2
2025-04-08 13:11:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097181968).
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 agm097181968
data_agm097181968
_cell_length_a 4.87674
_cell_length_b 4.87657
_cell_length_c 9.08472
_cell_angle_alpha 90.18053
_cell_angle_beta 89.81544
_cell_angle_gamma 89.56678
_cell_volume 216.04279
_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
In1 In 0.50005 0.50146 0.03609 1.00000
In2 In 0.49865 0.50192 0.58549 1.00000
In3 In 0.99736 0.49968 0.30617 1.00000
In4 In 0.00131 0.49390 0.81449 1.00000
In5 In 0.49962 0.00258 0.30611 1.00000
In6 In 0.50643 0.99946 0.81449 1.00000
Co1 Co 0.49725 0.50267 0.31039 1.00000
H1 H 0.04604 0.95397 0.51446 1.00000
H2 H 0.95329 0.04436 0.56230 1.00000
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