PmDy2NpO8
Alexandria ALEXAlex-ID: agm004907239 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_437_spg47
Dy6NpO12 PmO2 PmNpO5
2023-01-05 22:09:10.533825
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004907239).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004907239
data_agm004907239
_cell_length_a 3.90303
_cell_length_b 5.41161
_cell_length_c 7.48228
_cell_angle_alpha 90.00298
_cell_angle_beta 89.99899
_cell_angle_gamma 93.69806
_cell_volume 157.70900
_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
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.50000 0.49996 0.74268 1.00000
Dy2 Dy 0.50000 0.50004 0.25732 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
O1 O 0.02505 0.76050 0.21903 1.00000
O2 O 0.54103 0.77541 0.00001 1.00000
O3 O 0.97491 0.23938 0.21900 1.00000
O4 O 0.97495 0.23950 0.78097 1.00000
O5 O 0.45897 0.22459 0.99999 1.00000
O6 O 0.02508 0.76062 0.78100 1.00000
O7 O 0.49362 0.74182 0.50003 1.00000
O8 O 0.50638 0.25818 0.49997 1.00000
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