Pa4Sb3Te4
Alexandria ALEXAlex-ID: agm003378377 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_23_spg71
Pa3Sb2Te3 PaSbTe
2022-02-09 06:32:10.373353
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003378377).
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 agm003378377
data_agm003378377
_cell_length_a 4.01741
_cell_length_b 8.95508
_cell_length_c 10.19047
_cell_angle_alpha 116.06466
_cell_angle_beta 101.36835
_cell_angle_gamma 90.00000
_cell_volume 321.30275
_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
Pa1 Pa 0.26552 0.76552 0.53104 1.00000
Pa2 Pa 0.73448 0.23448 0.46896 1.00000
Pa3 Pa 0.50000 0.78008 0.00000 1.00000
Pa4 Pa 0.50000 0.21992 0.00000 1.00000
Sb1 Sb 0.09310 0.09310 0.18620 1.00000
Sb2 Sb 0.90690 0.90690 0.81380 1.00000
Sb3 Sb 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.33338 0.14703 0.66675 1.00000
Te2 Te 0.66662 0.48028 0.33325 1.00000
Te3 Te 0.66662 0.85297 0.33325 1.00000
Te4 Te 0.33338 0.51972 0.66675 1.00000
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