LaAl6Cu7
Alexandria ALEXAlex-ID: agm023925232 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C7_22_spg72
LaAl6Cu7
2025-01-30 16:18:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023925232).
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 agm023925232
data_agm023925232
_cell_length_a 8.18725
_cell_length_b 8.42779
_cell_length_c 8.42738
_cell_angle_alpha 61.41708
_cell_angle_beta 60.94574
_cell_angle_gamma 60.94571
_cell_volume 421.36651
_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
La1 La 0.75004 0.74999 0.75001 1.00000
La2 La 0.24996 0.25001 0.24999 1.00000
Al1 Al 0.30955 0.94729 0.05265 1.00000
Al2 Al 0.69045 0.05271 0.94735 1.00000
Al3 Al 0.19051 0.44729 0.55267 1.00000
Al4 Al 0.80949 0.55271 0.44733 1.00000
Al5 Al 0.54653 0.44504 0.81059 1.00000
Al6 Al 0.45347 0.55496 0.18941 1.00000
Al7 Al 0.19800 0.81042 0.44498 1.00000
Al8 Al 0.95341 0.68951 0.05502 1.00000
Al9 Al 0.80200 0.18958 0.55502 1.00000
Al10 Al 0.04659 0.31049 0.94498 1.00000
Al11 Al 0.30211 0.05497 0.68946 1.00000
Al12 Al 0.69789 0.94503 0.31054 1.00000
Cu1 Cu 0.06565 0.71370 0.28623 1.00000
Cu2 Cu 0.93435 0.28630 0.71377 1.00000
Cu3 Cu 0.43433 0.21379 0.78628 1.00000
Cu4 Cu 0.56567 0.78621 0.21372 1.00000
Cu5 Cu 0.29829 0.71395 0.93439 1.00000
Cu6 Cu 0.70171 0.28605 0.06561 1.00000
Cu7 Cu 0.05321 0.93444 0.71387 1.00000
Cu8 Cu 0.20160 0.56559 0.78614 1.00000
Cu9 Cu 0.94679 0.06556 0.28613 1.00000
Cu10 Cu 0.79840 0.43441 0.21386 1.00000
Cu11 Cu 0.44679 0.78607 0.56556 1.00000
Cu12 Cu 0.55321 0.21393 0.43444 1.00000
Cu13 Cu 0.00000 0.00000 0.00000 1.00000
Cu14 Cu 0.50000 0.50000 0.50000 1.00000
