Pu4Sn2BiSb
Alexandria ALEXAlex-ID: agm004797263 · 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
ABC2D4_337_spg166
PuBi PuSn2 PuSn Pu4Sb3
2022-07-20 23:42:23.612211
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004797263).
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 agm004797263
data_agm004797263
_cell_length_a 5.37328
_cell_length_b 5.37328
_cell_length_c 9.44711
_cell_angle_alpha 73.47776
_cell_angle_beta 73.47776
_cell_angle_gamma 60.00000
_cell_volume 223.11637
_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 0.37803 0.37803 0.86592 1.00000
Pu2 Pu 0.86319 0.86319 0.41044 1.00000
Pu3 Pu 0.13681 0.13681 0.58956 1.00000
Pu4 Pu 0.62197 0.62197 0.13408 1.00000
Sn1 Sn 0.74576 0.74576 0.76272 1.00000
Sn2 Sn 0.25424 0.25424 0.23728 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.50000 0.50000 1.00000
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