Pr5(SnPt)2
Alexandria ALEXAlex-ID: agm009494702 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_59_spg64
Pr5Sn2Pt Pr4Sn3 PrPt
2024-03-08 02:19:50.639751
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009494702).
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 agm009494702
data_agm009494702
_cell_length_a 8.73117
_cell_length_b 7.53211
_cell_length_c 8.32963
_cell_angle_alpha 73.14819
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 524.26750
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.50000 0.50000 0.00000 1.00000
Pr3 Pr 0.16450 0.28042 0.22427 1.00000
Pr4 Pr 0.80734 0.56204 0.29490 1.00000
Pr5 Pr 0.69266 0.06204 0.29490 1.00000
Pr6 Pr 0.33550 0.78042 0.22427 1.00000
Pr7 Pr 0.83550 0.71958 0.77573 1.00000
Pr8 Pr 0.19266 0.43796 0.70510 1.00000
Pr9 Pr 0.30734 0.93796 0.70510 1.00000
Pr10 Pr 0.66450 0.21958 0.77573 1.00000
Sn1 Sn 0.03812 0.84113 0.42881 1.00000
Sn2 Sn 0.46188 0.34113 0.42881 1.00000
Sn3 Sn 0.96188 0.15887 0.57119 1.00000
Sn4 Sn 0.53812 0.65887 0.57119 1.00000
Pt1 Pt 0.36123 0.14592 0.97554 1.00000
Pt2 Pt 0.63877 0.85408 0.02446 1.00000
Pt3 Pt 0.86123 0.35408 0.02446 1.00000
Pt4 Pt 0.13877 0.64592 0.97554 1.00000
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