Pr2Si2Sn
Alexandria ALEXAlex-ID: agm033862001 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_4_spg65
Pr3Si4 Pr3Sn4 Pr10Si17
2024-12-30 00:40:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033862001).
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 agm033862001
data_agm033862001
_cell_length_a 7.53143
_cell_length_b 7.53143
_cell_length_c 4.36064
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 150.06504
_cell_volume 123.42986
_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
Pr1 Pr 0.86669 0.13331 0.00000 1.00000
Pr2 Pr 0.13331 0.86669 0.00000 1.00000
Si1 Si 0.29801 0.70199 0.50000 1.00000
Si2 Si 0.70199 0.29801 0.50000 1.00000
Sn1 Sn 0.50000 0.50000 0.50000 1.00000
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