YPb2Au3
Alexandria ALEXAlex-ID: agm033534872 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2913_spg63
YAu3 Pb
2025-04-14 15:18:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033534872).
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 agm033534872
data_agm033534872
_cell_length_a 7.29063
_cell_length_b 5.04824
_cell_length_c 15.88845
_cell_angle_alpha 90.00000
_cell_angle_beta 103.03843
_cell_angle_gamma 90.00000
_cell_volume 569.69537
_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
Y1 Y 0.45024 0.25000 0.40340 1.00000
Y2 Y 0.54976 0.75000 0.59660 1.00000
Y3 Y 0.70770 0.75000 0.91446 1.00000
Y4 Y 0.29230 0.25000 0.08554 1.00000
Pb1 Pb 0.87366 0.75000 0.25423 1.00000
Pb2 Pb 0.95579 0.25000 0.41292 1.00000
Pb3 Pb 0.04421 0.75000 0.58708 1.00000
Pb4 Pb 0.12634 0.25000 0.74577 1.00000
Pb5 Pb 0.62975 0.25000 0.75433 1.00000
Pb6 Pb 0.20857 0.75000 0.91459 1.00000
Pb7 Pb 0.79143 0.25000 0.08541 1.00000
Pb8 Pb 0.37025 0.75000 0.24567 1.00000
Au1 Au 0.68852 0.75000 0.43120 1.00000
Au2 Au 0.24284 0.75000 0.43257 1.00000
Au3 Au 0.31148 0.25000 0.56880 1.00000
Au4 Au 0.75716 0.25000 0.56743 1.00000
Au5 Au 0.87462 0.75000 0.75420 1.00000
Au6 Au 0.38377 0.75000 0.75453 1.00000
Au7 Au 0.95738 0.25000 0.92415 1.00000
Au8 Au 0.46736 0.25000 0.92411 1.00000
Au9 Au 0.04262 0.75000 0.07585 1.00000
Au10 Au 0.53264 0.75000 0.07589 1.00000
Au11 Au 0.12538 0.25000 0.24580 1.00000
Au12 Au 0.61623 0.25000 0.24547 1.00000
