PrUF7
Alexandria ALEXAlex-ID: agm024260144 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_80_spg2
PrU3F15 PrF3
2024-12-10 19:44:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024260144).
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 agm024260144
data_agm024260144
_cell_length_a 6.46292
_cell_length_b 6.21999
_cell_length_c 8.79682
_cell_angle_alpha 90.00000
_cell_angle_beta 102.96510
_cell_angle_gamma 90.00000
_cell_volume 344.61082
_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
Pr1 Pr 0.15042 0.29721 0.68748 1.00000
Pr2 Pr 0.84958 0.79721 0.31252 1.00000
U1 U 0.31479 0.29661 0.22529 1.00000
U2 U 0.68521 0.79661 0.77471 1.00000
F1 F 0.99867 0.04984 0.49846 1.00000
F2 F 0.00133 0.54984 0.50154 1.00000
F3 F 0.42972 0.55656 0.75551 1.00000
F4 F 0.57028 0.05656 0.24449 1.00000
F5 F 0.43006 0.03755 0.75437 1.00000
F6 F 0.56994 0.53755 0.24563 1.00000
F7 F 0.92291 0.05541 0.79433 1.00000
F8 F 0.07709 0.55541 0.20567 1.00000
F9 F 0.27541 0.29668 0.97470 1.00000
F10 F 0.72459 0.79668 0.02530 1.00000
F11 F 0.35893 0.29789 0.47630 1.00000
F12 F 0.64107 0.79789 0.52370 1.00000
F13 F 0.92032 0.53503 0.79523 1.00000
F14 F 0.07968 0.03503 0.20477 1.00000
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