GaCo2H7
Alexandria ALEXAlex-ID: agm006201056 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_895_spg1
H2 CoH GaCo
2023-11-02 17:36:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201056).
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 agm006201056
data_agm006201056
_cell_length_a 4.32338
_cell_length_b 5.05092
_cell_length_c 4.29785
_cell_angle_alpha 123.97635
_cell_angle_beta 74.23287
_cell_angle_gamma 125.92216
_cell_volume 62.80631
_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 0.29164 0.75431 0.87231 1.00000
H2 H 0.90023 0.81194 0.78187 1.00000
H3 H 0.53881 0.44104 0.79377 1.00000
H4 H 0.07490 0.15332 0.27162 1.00000
H5 H 0.28473 0.84776 0.45451 1.00000
H6 H 0.62848 0.23896 0.22518 1.00000
H7 H 0.58322 0.58117 0.24960 1.00000
Co1 Co 0.35646 0.12913 0.91792 1.00000
Co2 Co 0.60402 0.85653 0.14020 1.00000
Ga1 Ga 0.96991 0.24321 0.76119 1.00000
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