Pr3ZnPt3
Alexandria ALEXAlex-ID: agm005928343 · 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
AB3C3_556_spg12
PrZnPt PrPt
2023-08-07 01:55:03.936674
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005928343).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005928343
data_agm005928343
_cell_length_a 4.17712
_cell_length_b 5.98431
_cell_length_c 14.28443
_cell_angle_alpha 85.02183
_cell_angle_beta 81.59250
_cell_angle_gamma 69.57346
_cell_volume 330.77620
_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 0.52634 0.33271 0.61461 1.00000
Pr2 Pr 0.47366 0.66729 0.38539 1.00000
Pr3 Pr 0.26305 0.24578 0.22813 1.00000
Pr4 Pr 0.73695 0.75422 0.77187 1.00000
Pr5 Pr 0.39498 0.28674 0.92329 1.00000
Pr6 Pr 0.60502 0.71326 0.07671 1.00000
Zn1 Zn 0.76709 0.06662 0.39920 1.00000
Zn2 Zn 0.23291 0.93338 0.60080 1.00000
Pt1 Pt 0.86735 0.71715 0.54814 1.00000
Pt2 Pt 0.13265 0.28285 0.45186 1.00000
Pt3 Pt 0.12407 0.82883 0.92304 1.00000
Pt4 Pt 0.87593 0.17117 0.07696 1.00000
Pt5 Pt 0.97588 0.81307 0.23516 1.00000
Pt6 Pt 0.02412 0.18693 0.76484 1.00000
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