Pr7(SiTe)2
Alexandria ALEXAlex-ID: agm008283545 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_1139_spg44
Pr3Si2 Pr3SiTe2 Pr
2024-05-05 14:16:02.965403
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008283545).
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}
}
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# CIF generated by HEAS from Alexandria entry agm008283545
data_agm008283545
_cell_length_a 9.62895
_cell_length_b 9.62895
_cell_length_c 9.62895
_cell_angle_alpha 154.07678
_cell_angle_beta 118.00989
_cell_angle_gamma 68.34576
_cell_volume 341.26108
_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
Pr1 Pr 0.58155 0.68385 0.89770 1.00000
Pr2 Pr 0.90733 0.64510 0.26223 1.00000
Pr3 Pr 0.51706 0.00000 0.51706 1.00000
Pr4 Pr 0.97939 0.87218 0.10721 1.00000
Pr5 Pr 0.23502 0.12782 0.10721 1.00000
Pr6 Pr 0.21385 0.31615 0.89770 1.00000
Pr7 Pr 0.61712 0.35490 0.26223 1.00000
Si1 Si 0.35721 0.76022 0.59699 1.00000
Si2 Si 0.83677 0.23978 0.59699 1.00000
Te1 Te 0.25708 0.50000 0.75708 1.00000
Te2 Te 0.85149 0.00000 0.85149 1.00000
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