Ho5PuP6
Alexandria ALEXAlex-ID: agm006129175 · 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
AB5C6_83_spg12
HoPu2P3 HoP
2023-09-03 14:15:01.214494
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129175).
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 agm006129175
data_agm006129175
_cell_length_a 6.90352
_cell_length_b 6.90313
_cell_length_c 6.90167
_cell_angle_alpha 59.99300
_cell_angle_beta 80.40100
_cell_angle_gamma 70.52276
_cell_volume 268.52111
_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
P1 P 0.75069 0.08309 0.33080 1.00000
P2 P 0.24931 0.58611 0.33080 1.00000
P3 P 0.24846 0.24815 1.00000 1.00000
P4 P 0.75154 0.75185 0.00000 1.00000
P5 P 0.75069 0.41389 0.66920 1.00000
P6 P 0.24931 0.91691 0.66920 1.00000
Ho1 Ho 0.50000 0.16721 0.66558 1.00000
Ho2 Ho 1.00000 0.33354 0.33291 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
Ho4 Ho 0.00000 0.66646 0.66709 1.00000
Ho5 Ho 0.50000 0.83279 0.33442 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
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