AcTb2As3
Alexandria ALEXAlex-ID: agm018108317 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
TbAs AcAs
2025-04-13 12:51:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018108317).
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 agm018108317
data_agm018108317
_cell_length_a 6.08120
_cell_length_b 8.56974
_cell_length_c 12.86159
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 670.27209
_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 0.75000 0.87133 0.07925 1.00000
Ac2 Ac 0.75000 0.37133 0.42075 1.00000
Ac3 Ac 0.25000 0.62867 0.57925 1.00000
Ac4 Ac 0.25000 0.12867 0.92075 1.00000
Tb1 Tb 0.75000 0.87450 0.75280 1.00000
Tb2 Tb 0.75000 0.37450 0.74720 1.00000
Tb3 Tb 0.75000 0.87922 0.41468 1.00000
Tb4 Tb 0.75000 0.37922 0.08532 1.00000
Tb5 Tb 0.25000 0.62078 0.91468 1.00000
Tb6 Tb 0.25000 0.12078 0.58532 1.00000
Tb7 Tb 0.25000 0.62550 0.25280 1.00000
Tb8 Tb 0.25000 0.12550 0.24720 1.00000
As1 As 0.75000 0.63990 0.58871 1.00000
As2 As 0.75000 0.13990 0.91129 1.00000
As3 As 0.75000 0.61298 0.90959 1.00000
As4 As 0.75000 0.11298 0.59041 1.00000
As5 As 0.75000 0.62621 0.25299 1.00000
As6 As 0.75000 0.12621 0.24701 1.00000
As7 As 0.25000 0.87379 0.75299 1.00000
As8 As 0.25000 0.37379 0.74701 1.00000
As9 As 0.25000 0.88702 0.40959 1.00000
As10 As 0.25000 0.38702 0.09041 1.00000
As11 As 0.25000 0.86010 0.08871 1.00000
As12 As 0.25000 0.36010 0.41129 1.00000
