Pr6AlZn8
Alexandria ALEXAlex-ID: agm072492448 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_69_spg148
PrAlZn PrZn2 PrZn
2024-10-05 08:35:39.482960
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072492448).
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 agm072492448
data_agm072492448
_cell_length_a 6.68200
_cell_length_b 7.96803
_cell_length_c 8.54939
_cell_angle_alpha 63.61262
_cell_angle_beta 66.45647
_cell_angle_gamma 66.16608
_cell_volume 359.31368
_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 0.77837 0.62692 0.13742 1.00000
Pr2 Pr 0.49074 0.12547 0.25879 1.00000
Pr3 Pr 0.95349 0.27948 0.55224 1.00000
Pr4 Pr 0.22163 0.37308 0.86258 1.00000
Pr5 Pr 0.50926 0.87453 0.74121 1.00000
Pr6 Pr 0.04651 0.72052 0.44776 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.66574 0.07128 0.88686 1.00000
Zn2 Zn 0.33426 0.92872 0.11314 1.00000
Zn3 Zn 0.50846 0.66568 0.51308 1.00000
Zn4 Zn 0.70820 0.41591 0.89287 1.00000
Zn5 Zn 0.06276 0.83183 0.74856 1.00000
Zn6 Zn 0.49154 0.33432 0.48692 1.00000
Zn7 Zn 0.29180 0.58409 0.10713 1.00000
Zn8 Zn 0.93724 0.16817 0.25144 1.00000
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