Pr2GaSnPd6
Alexandria ALEXAlex-ID: agm004929062 · 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
ABC2D6_414_spg12
Pr3Sn4Pd7 Pr4GaPd12 Pr(Ga2Pd3)2 PrSnPd
2022-07-23 09:22:44.894058
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004929062).
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 agm004929062
data_agm004929062
_cell_length_a 6.75119
_cell_length_b 6.54511
_cell_length_c 9.01009
_cell_angle_alpha 48.30216
_cell_angle_beta 46.37483
_cell_angle_gamma 74.25121
_cell_volume 201.81718
_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 0.74871 0.25141 0.50146 1.00000
Pr2 Pr 0.25130 0.74859 0.49853 1.00000
Ga1 Ga 1.00000 1.00000 0.00000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.19653 0.29756 0.51078 1.00000
Pd2 Pd 0.70279 0.80340 0.00472 1.00000
Pd3 Pd 0.24567 0.75463 0.82175 1.00000
Pd4 Pd 0.75432 0.24537 0.17825 1.00000
Pd5 Pd 0.29721 0.19660 0.99528 1.00000
Pd6 Pd 0.80347 0.70244 0.48922 1.00000
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