Ca4SnHg2Ge
Alexandria ALEXAlex-ID: agm050485669 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_43_spg5
Ca2SnHg CaHg CaGe
2024-11-09 13:28:21.139703
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050485669).
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 agm050485669
data_agm050485669
_cell_length_a 9.24903
_cell_length_b 9.24903
_cell_length_c 9.24903
_cell_angle_alpha 33.65691
_cell_angle_beta 33.65691
_cell_angle_gamma 33.65691
_cell_volume 216.50320
_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
Ca1 Ca 0.37936 0.37936 0.37936 1.00000
Ca2 Ca 0.87131 0.87131 0.87131 1.00000
Ca3 Ca 0.12869 0.12869 0.12869 1.00000
Ca4 Ca 0.62064 0.62064 0.62064 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.74735 0.74735 0.74735 1.00000
Hg2 Hg 0.25265 0.25265 0.25265 1.00000
Ge1 Ge 0.50000 0.50000 0.50000 1.00000
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