Pm2Pr2Y3
Alexandria ALEXAlex-ID: agm024018990 · 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
A2B2C3_99_spg12
Pm3PrY4 PmPr3Y4 Pm2Pr
2025-05-16 14:31:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024018990).
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 agm024018990
data_agm024018990
_cell_length_a 6.29579
_cell_length_b 6.29579
_cell_length_c 8.11762
_cell_angle_alpha 82.59675
_cell_angle_beta 97.40325
_cell_angle_gamma 131.73650
_cell_volume 237.69494
_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
Pm1 Pm 0.85662 0.14338 0.57143 1.00000
Pm2 Pm 0.14338 0.85662 0.42857 1.00000
Pr1 Pr 0.42815 0.57185 0.28427 1.00000
Pr2 Pr 0.57185 0.42815 0.71573 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.28613 0.71387 0.85851 1.00000
Y3 Y 0.71387 0.28613 0.14149 1.00000
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