Rb3Pr2ThTe6
Alexandria ALEXAlex-ID: agm033777059 · 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
AB2C3D6_125_spg2
RbPrTe2 Rb2ThTe3 ThTe
2025-03-23 07:25:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033777059).
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 agm033777059
data_agm033777059
_cell_length_a 11.15921
_cell_length_b 11.15921
_cell_length_c 10.16221
_cell_angle_alpha 69.76392
_cell_angle_beta 110.23608
_cell_angle_gamma 156.10668
_cell_volume 479.46015
_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
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.83131 0.16869 0.66665 1.00000
Rb3 Rb 0.16869 0.83131 0.33335 1.00000
Pr1 Pr 0.83171 0.16829 0.16301 1.00000
Pr2 Pr 0.16829 0.83171 0.83699 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.34553 0.65447 0.39740 1.00000
Te2 Te 0.67503 0.32497 0.06174 1.00000
Te3 Te 0.65447 0.34553 0.60260 1.00000
Te4 Te 0.00778 0.99222 0.72172 1.00000
Te5 Te 0.99222 0.00778 0.27828 1.00000
Te6 Te 0.32497 0.67503 0.93826 1.00000
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