YPuF7
Alexandria ALEXAlex-ID: agm024123122 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
YPuF7
2025-01-04 05:25:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024123122).
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 agm024123122
data_agm024123122
_cell_length_a 6.24211
_cell_length_b 6.00325
_cell_length_c 8.52870
_cell_angle_alpha 90.00000
_cell_angle_beta 103.58037
_cell_angle_gamma 90.00000
_cell_volume 310.66011
_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
Y1 Y 0.64771 0.29705 0.68484 1.00000
Y2 Y 0.35229 0.79705 0.31516 1.00000
Pu1 Pu 0.81765 0.29639 0.22611 1.00000
Pu2 Pu 0.18235 0.79639 0.77389 1.00000
F1 F 0.50015 0.04933 0.49867 1.00000
F2 F 0.49985 0.54933 0.50133 1.00000
F3 F 0.91557 0.55870 0.75506 1.00000
F4 F 0.08443 0.05870 0.24494 1.00000
F5 F 0.92599 0.04593 0.75558 1.00000
F6 F 0.07401 0.54593 0.24442 1.00000
F7 F 0.43066 0.05438 0.79400 1.00000
F8 F 0.56934 0.55438 0.20600 1.00000
F9 F 0.77373 0.29797 0.96977 1.00000
F10 F 0.22627 0.79797 0.03023 1.00000
F11 F 0.86578 0.29954 0.48299 1.00000
F12 F 0.13422 0.79954 0.51701 1.00000
F13 F 0.41675 0.52464 0.79224 1.00000
F14 F 0.58325 0.02464 0.20776 1.00000
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