Pr2GaSn2
Alexandria ALEXAlex-ID: agm005961498 · 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
AB2C2_43_spg12
Pr3Sn4 PrGa2
2023-08-03 18:05:03.106956
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961498).
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 agm005961498
data_agm005961498
_cell_length_a 4.56254
_cell_length_b 6.33146
_cell_length_c 10.66325
_cell_angle_alpha 83.79406
_cell_angle_beta 77.64681
_cell_angle_gamma 68.88093
_cell_volume 280.52990
_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 0.69872 0.25820 0.34436 1.00000
Pr2 Pr 0.90668 0.28250 0.90415 1.00000
Pr3 Pr 0.30128 0.74180 0.65564 1.00000
Pr4 Pr 0.09332 0.71750 0.09585 1.00000
Ga1 Ga 0.53112 0.22178 0.71598 1.00000
Ga2 Ga 0.46888 0.77822 0.28402 1.00000
Sn1 Sn 0.07131 0.28452 0.57286 1.00000
Sn2 Sn 0.64366 0.83528 0.87740 1.00000
Sn3 Sn 0.92869 0.71548 0.42714 1.00000
Sn4 Sn 0.35634 0.16472 0.12260 1.00000
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