Co2HgH4
Alexandria ALEXAlex-ID: agm096726257 · 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
AB2C4_4716_spg2
Co2H HgH4 Hg
2025-04-10 19:43:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096726257).
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 agm096726257
data_agm096726257
_cell_length_a 2.78697
_cell_length_b 4.25145
_cell_length_c 5.44986
_cell_angle_alpha 92.19370
_cell_angle_beta 75.32413
_cell_angle_gamma 90.00150
_cell_volume 62.41800
_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
Co1 Co 0.93619 0.94963 0.05658 1.00000
Co2 Co 0.36798 0.46608 0.19190 1.00000
Hg1 Hg 0.18667 0.03972 0.55544 1.00000
H1 H 0.47250 0.16964 0.98230 1.00000
H2 H 0.83250 0.63613 0.26321 1.00000
H3 H 0.22139 0.51727 0.48874 1.00000
H4 H 0.48277 0.72153 0.96183 1.00000
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