K8CdHg2
Alexandria ALEXAlex-ID: agm003528552 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_259_spg8
K2Cd3 K3Hg K
2022-03-15 10:34:16.109614
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003528552).
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 agm003528552
data_agm003528552
_cell_length_a 6.01158
_cell_length_b 8.76167
_cell_length_c 11.54799
_cell_angle_alpha 107.36322
_cell_angle_beta 105.08708
_cell_angle_gamma 90.00000
_cell_volume 558.52860
_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
K1 K 0.40371 0.54624 0.80741 1.00000
K2 K 0.66881 0.96411 0.33762 1.00000
K3 K 0.79641 0.69025 0.59283 1.00000
K4 K 0.96830 0.21225 0.93660 1.00000
K5 K 0.20359 0.30975 0.40717 1.00000
K6 K 0.33119 0.03589 0.66238 1.00000
K7 K 0.59629 0.45376 0.19259 1.00000
K8 K 0.03170 0.78775 0.06340 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.81767 0.29566 0.63533 1.00000
Hg2 Hg 0.18233 0.70434 0.36467 1.00000
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