Pm2Al5Cu2Pd
Alexandria ALEXAlex-ID: agm005139342 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_48_spg127
Pm3Al7Pd2 Pm2(AlCu)5 PmAl3Pd2 Pm3Al7Cu2
2022-07-14 11:26:27.972662
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005139342).
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 agm005139342
data_agm005139342
_cell_length_a 3.96359
_cell_length_b 9.59603
_cell_length_c 9.59603
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 364.98247
_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 0.00000 0.68641 0.18641 1.00000
Pm2 Pm 0.00000 0.31359 0.81359 1.00000
Pm3 Pm 0.00000 0.18641 0.31359 1.00000
Pm4 Pm 0.00000 0.81359 0.68641 1.00000
Al1 Al 0.50000 0.20050 0.05110 1.00000
Al2 Al 0.50000 0.79950 0.94890 1.00000
Al3 Al 0.50000 0.05110 0.79950 1.00000
Al4 Al 0.50000 0.70050 0.44890 1.00000
Al5 Al 0.50000 0.94890 0.20050 1.00000
Al6 Al 0.50000 0.29950 0.55110 1.00000
Al7 Al 0.50000 0.55110 0.70050 1.00000
Al8 Al 0.50000 0.44890 0.29950 1.00000
Al9 Al 0.50000 0.50000 0.00000 1.00000
Al10 Al 0.50000 0.00000 0.50000 1.00000
Cu1 Cu 0.00000 0.10844 0.60844 1.00000
Cu2 Cu 0.00000 0.89156 0.39156 1.00000
Cu3 Cu 0.00000 0.60844 0.89156 1.00000
Cu4 Cu 0.00000 0.39156 0.10844 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.50000 0.50000 1.00000
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