Tb3PmS4
Alexandria ALEXAlex-ID: agm077807724 · 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
AB3C4_54_spg1
TbPm4S5 Tb4PmS5
2025-01-10 08:08:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077807724).
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
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# CIF generated by HEAS from Alexandria entry agm077807724
data_agm077807724
_cell_length_a 6.83940
_cell_length_b 6.83940
_cell_length_c 6.91068
_cell_angle_alpha 79.79448
_cell_angle_beta 100.20552
_cell_angle_gamma 146.64886
_cell_volume 174.65364
_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 0.25294 0.74706 0.25176 1.00000
Tb2 Tb 0.74706 0.25294 0.74824 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
S1 S 0.87377 0.12623 0.11796 1.00000
S2 S 0.12623 0.87377 0.88204 1.00000
S3 S 0.37130 0.62870 0.63038 1.00000
S4 S 0.62870 0.37130 0.36962 1.00000
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