Pr3Pu2Tc7
Alexandria ALEXAlex-ID: agm024383000 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_313_spg12
Pr2PuTc2 Pu Tc
2025-05-17 15:38:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024383000).
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 agm024383000
data_agm024383000
_cell_length_a 5.86876
_cell_length_b 5.86876
_cell_length_c 8.74204
_cell_angle_alpha 70.39487
_cell_angle_beta 109.60513
_cell_angle_gamma 120.04090
_cell_volume 240.29996
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.14340 0.85660 0.42995 1.00000
Pr3 Pr 0.85660 0.14340 0.57005 1.00000
Pu1 Pu 0.33328 0.66672 0.99963 1.00000
Pu2 Pu 0.66672 0.33328 0.00037 1.00000
Tc1 Tc 0.50000 0.50000 0.50000 1.00000
Tc2 Tc 0.08260 0.42023 0.24179 1.00000
Tc3 Tc 0.57977 0.91740 0.24179 1.00000
Tc4 Tc 0.57970 0.42030 0.24155 1.00000
Tc5 Tc 0.91740 0.57977 0.75821 1.00000
Tc6 Tc 0.42030 0.57970 0.75845 1.00000
Tc7 Tc 0.42023 0.08260 0.75821 1.00000
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