La3Zn6Ni5
Alexandria ALEXAlex-ID: agm005708313 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_16_spg59
LaZn2Ni LaZn3Ni2 La3Ni4
2023-06-30 16:19:39.063934
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708313).
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 agm005708313
data_agm005708313
_cell_length_a 4.17397
_cell_length_b 9.32232
_cell_length_c 12.64051
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 491.85582
_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 0.00000 0.23995 0.69229 1.00000
La2 La 0.50000 0.76005 0.19229 1.00000
La3 La 0.50000 0.76005 0.80771 1.00000
La4 La 0.00000 0.28347 0.00000 1.00000
La5 La 0.50000 0.71653 0.50000 1.00000
La6 La 0.00000 0.23995 0.30771 1.00000
Zn1 Zn 0.00000 0.99184 0.86455 1.00000
Zn2 Zn 0.50000 0.00816 0.63545 1.00000
Zn3 Zn 0.50000 0.42329 0.81455 1.00000
Zn4 Zn 0.50000 0.56395 0.00000 1.00000
Zn5 Zn 0.00000 0.43605 0.50000 1.00000
Zn6 Zn 0.00000 0.57671 0.68545 1.00000
Zn7 Zn 0.00000 0.57671 0.31455 1.00000
Zn8 Zn 0.50000 0.98513 0.00000 1.00000
Zn9 Zn 0.00000 0.99184 0.13545 1.00000
Zn10 Zn 0.50000 0.42329 0.18545 1.00000
Zn11 Zn 0.00000 0.01487 0.50000 1.00000
Zn12 Zn 0.50000 0.00816 0.36455 1.00000
Ni1 Ni 0.00000 0.55644 0.89450 1.00000
Ni2 Ni 0.00000 0.86085 0.66463 1.00000
Ni3 Ni 0.00000 0.78485 0.00000 1.00000
Ni4 Ni 0.50000 0.44356 0.60550 1.00000
Ni5 Ni 0.50000 0.21515 0.50000 1.00000
Ni6 Ni 0.00000 0.55644 0.10550 1.00000
Ni7 Ni 0.50000 0.44356 0.39450 1.00000
Ni8 Ni 0.00000 0.86085 0.33537 1.00000
Ni9 Ni 0.50000 0.13915 0.83537 1.00000
Ni10 Ni 0.50000 0.13915 0.16463 1.00000
