Ac2Pu2Sc5
Alexandria ALEXAlex-ID: agm009587376 · 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
A2B2C5_491_spg2
Ac Pu Sc
2024-04-19 16:34:24.483316
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009587376).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm009587376
data_agm009587376
_cell_length_a 5.25200
_cell_length_b 6.19710
_cell_length_c 9.11610
_cell_angle_alpha 87.61570
_cell_angle_beta 106.76341
_cell_angle_gamma 115.07520
_cell_volume 256.20454
_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
Ac1 Ac 0.09288 0.77836 0.40759 1.00000
Ac2 Ac 0.90712 0.22164 0.59241 1.00000
Pu1 Pu 0.25504 0.55517 0.95506 1.00000
Pu2 Pu 0.74496 0.44483 0.04494 1.00000
Sc1 Sc 0.66021 0.62085 0.70014 1.00000
Sc2 Sc 0.59691 0.99382 0.20002 1.00000
Sc3 Sc 0.40309 0.00618 0.79998 1.00000
Sc4 Sc 0.33979 0.37915 0.29986 1.00000
Sc5 Sc 0.00000 0.00000 0.00000 1.00000
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