Tb3As2P
Alexandria ALEXAlex-ID: agm003435355 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_935_spg12
TbAs TbP
2022-02-13 23:04:45.169941
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003435355).
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 agm003435355
data_agm003435355
_cell_length_a 7.10108
_cell_length_b 7.10529
_cell_length_c 7.10529
_cell_angle_alpha 119.96976
_cell_angle_beta 99.57961
_cell_angle_gamma 99.57961
_cell_volume 292.87334
_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
Tb1 Tb 0.00027 0.17554 0.33789 1.00000
Tb2 Tb 0.50027 0.33789 0.17554 1.00000
Tb3 Tb 0.00000 0.50000 0.00000 1.00000
Tb4 Tb 0.99973 0.82446 0.66211 1.00000
Tb5 Tb 0.50000 0.00000 0.50000 1.00000
Tb6 Tb 0.49973 0.66211 0.82446 1.00000
As1 As 0.25000 0.91672 0.08328 1.00000
As2 As 0.25000 0.24881 0.75119 1.00000
As3 As 0.75000 0.08328 0.91672 1.00000
As4 As 0.75000 0.75119 0.24881 1.00000
P1 P 0.25000 0.58409 0.41591 1.00000
P2 P 0.75000 0.41591 0.58409 1.00000
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