Pu7Zr3Co4
Alexandria ALEXAlex-ID: agm010062902 · 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
A3B4C7_8_spg12
ZrCo2 ZrCo Pu
2024-03-25 04:40:33.977362
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010062902).
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 agm010062902
data_agm010062902
_cell_length_a 7.77621
_cell_length_b 7.77621
_cell_length_c 10.36921
_cell_angle_alpha 52.15293
_cell_angle_beta 52.15293
_cell_angle_gamma 33.80586
_cell_volume 267.69030
_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 0.33681 0.33681 0.49342 1.00000
Pu2 Pu 0.45082 0.45082 0.83889 1.00000
Pu3 Pu 0.83956 0.83956 0.94088 1.00000
Pu4 Pu 0.66319 0.66319 0.50658 1.00000
Pu5 Pu 0.16044 0.16044 0.05912 1.00000
Pu6 Pu 0.00000 0.00000 0.00000 1.00000
Pu7 Pu 0.54918 0.54918 0.16111 1.00000
Zr1 Zr 0.28419 0.28419 0.23059 1.00000
Zr2 Zr 0.71581 0.71581 0.76941 1.00000
Zr3 Zr 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.64078 0.64078 0.29651 1.00000
Co2 Co 0.35922 0.35922 0.70349 1.00000
Co3 Co 0.89593 0.89593 0.34495 1.00000
Co4 Co 0.10407 0.10407 0.65505 1.00000
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