Sc(CoH4)2
Alexandria ALEXAlex-ID: agm007304632 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_150_spg8
CoH ScCoH6 H2
2024-03-10 20:10:25.833093
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007304632).
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 agm007304632
data_agm007304632
_cell_length_a 4.18887
_cell_length_b 4.24050
_cell_length_c 4.24072
_cell_angle_alpha 70.68002
_cell_angle_beta 88.23043
_cell_angle_gamma 88.24969
_cell_volume 71.03490
_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
Sc1 Sc 0.09091 0.17277 0.82706 1.00000
Co1 Co 0.65105 0.29778 0.33539 1.00000
Co2 Co 0.53092 0.66463 0.70223 1.00000
H1 H 0.19735 0.68592 0.85478 1.00000
H2 H 0.44915 0.96877 0.35348 1.00000
H3 H 0.82965 0.55565 0.48495 1.00000
H4 H 0.73280 0.64657 0.03121 1.00000
H5 H 0.98452 0.14521 0.31390 1.00000
H6 H 0.35241 0.51508 0.44435 1.00000
H7 H 0.63320 0.02319 0.70963 1.00000
H8 H 0.54839 0.29048 0.97698 1.00000
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