Pm2HoU2Ru5
Alexandria ALEXAlex-ID: agm005135337 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_48_spg127
U4Ru3 Pm2URu3 Ho2URu3 URu2
2022-07-15 04:34:03.603655
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005135337).
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 agm005135337
data_agm005135337
_cell_length_a 3.55544
_cell_length_b 10.78380
_cell_length_c 10.78380
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 413.46330
_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 0.67532 0.17532 1.00000
Pm2 Pm 0.00000 0.32468 0.82468 1.00000
Pm3 Pm 0.00000 0.17532 0.32468 1.00000
Pm4 Pm 0.00000 0.82468 0.67532 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Ho2 Ho 0.00000 0.50000 0.50000 1.00000
U1 U 0.00000 0.13592 0.63592 1.00000
U2 U 0.00000 0.86408 0.36408 1.00000
U3 U 0.00000 0.63592 0.86408 1.00000
U4 U 0.00000 0.36408 0.13592 1.00000
Ru1 Ru 0.50000 0.21462 0.05068 1.00000
Ru2 Ru 0.50000 0.78538 0.94932 1.00000
Ru3 Ru 0.50000 0.05068 0.78538 1.00000
Ru4 Ru 0.50000 0.71462 0.44932 1.00000
Ru5 Ru 0.50000 0.94932 0.21462 1.00000
Ru6 Ru 0.50000 0.28538 0.55068 1.00000
Ru7 Ru 0.50000 0.55068 0.71462 1.00000
Ru8 Ru 0.50000 0.44932 0.28538 1.00000
Ru9 Ru 0.50000 0.50000 0.00000 1.00000
Ru10 Ru 0.50000 0.00000 0.50000 1.00000
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