Ac6La2Ho3
Alexandria ALEXAlex-ID: agm005606776 · 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
A2B3C6_250_spg12
La7Ho LaHo2 Ac
2023-06-12 13:03:50.953417
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606776).
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 agm005606776
data_agm005606776
_cell_length_a 6.63243
_cell_length_b 6.60796
_cell_length_c 12.22897
_cell_angle_alpha 85.13187
_cell_angle_beta 80.26455
_cell_angle_gamma 59.87744
_cell_volume 456.90209
_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
Ac1 Ac 0.41096 0.66695 0.75524 1.00000
Ac2 Ac 0.74346 1.00000 0.75098 1.00000
Ac3 Ac 0.07791 0.33305 0.75524 1.00000
Ac4 Ac 0.25654 0.00000 0.24902 1.00000
Ac5 Ac 0.58904 0.33305 0.24476 1.00000
Ac6 Ac 0.92209 0.66695 0.24476 1.00000
La1 La 0.17048 0.65905 0.50000 1.00000
La2 La 0.82952 0.34095 0.50000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Ho2 Ho 0.33455 0.33090 0.00000 1.00000
Ho3 Ho 0.66545 0.66910 1.00000 1.00000
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