Pu2Tc2Sn2C
Alexandria ALEXAlex-ID: agm023719366 · 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
AB2C2D2_66_spg71
PuSn2 Pu2Tc2C3 Tc PuSn
2024-10-15 20:49:58.068472
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023719366).
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 agm023719366
data_agm023719366
_cell_length_a 6.20662
_cell_length_b 6.20662
_cell_length_c 7.63279
_cell_angle_alpha 67.01457
_cell_angle_beta 67.01457
_cell_angle_gamma 31.53961
_cell_volume 140.57334
_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
Pu1 Pu 0.53294 0.53294 0.74067 1.00000
Pu2 Pu 0.46706 0.46706 0.25933 1.00000
Tc1 Tc 0.17515 0.17515 0.95559 1.00000
Tc2 Tc 0.82485 0.82485 0.04441 1.00000
Sn1 Sn 0.18029 0.18029 0.33403 1.00000
Sn2 Sn 0.81971 0.81971 0.66597 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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