Pm2CdSn5
Alexandria ALEXAlex-ID: agm046889879 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1286_spg42
PmSn3 PmCdSn2
2025-01-17 19:05:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046889879).
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 agm046889879
data_agm046889879
_cell_length_a 6.62401
_cell_length_b 6.62401
_cell_length_c 6.62401
_cell_angle_alpha 117.94737
_cell_angle_beta 117.94737
_cell_angle_gamma 93.59361
_cell_volume 211.44388
_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
Pm1 Pm 0.50000 0.00000 0.50000 1.00000
Pm2 Pm 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.50000 0.00000 1.00000
Sn2 Sn 0.00000 0.00000 0.50000 1.00000
Sn3 Sn 0.50000 0.50000 0.50000 1.00000
Sn4 Sn 0.50000 0.00000 0.00000 1.00000
Sn5 Sn 0.50000 0.50000 0.00000 1.00000
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