La(Pu2Ir)4
Alexandria ALEXAlex-ID: agm097956554 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_426_spg2
La5Ir3 Pu5Ir3 Pu
2025-06-16 16:21:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097956554).
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 agm097956554
data_agm097956554
_cell_length_a 4.33743
_cell_length_b 9.89582
_cell_length_c 7.66174
_cell_angle_alpha 106.99283
_cell_angle_beta 90.00621
_cell_angle_gamma 89.98987
_cell_volume 314.50267
_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
La1 La 0.76929 0.09209 0.95081 1.00000
Pu1 Pu 0.26923 0.26831 0.73345 1.00000
Pu2 Pu 0.26905 0.61320 0.90676 1.00000
Pu3 Pu 0.76907 0.63764 0.38201 1.00000
Pu4 Pu 0.26927 0.10954 0.36514 1.00000
Pu5 Pu 0.26938 0.85069 0.62202 1.00000
Pu6 Pu 0.76918 0.35712 0.59275 1.00000
Pu7 Pu 0.26919 0.35659 0.15935 1.00000
Pu8 Pu 0.76939 0.81381 0.18993 1.00000
Ir1 Ir 0.26937 0.91927 0.02554 1.00000
Ir2 Ir 0.76913 0.46057 0.00485 1.00000
Ir3 Ir 0.26912 0.50930 0.52039 1.00000
Ir4 Ir 0.76933 0.01188 0.54699 1.00000
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