HoHf3(NpP3)2
Alexandria ALEXAlex-ID: agm044863293 · 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
AB2C3D6_175_spg12
Ho5HfP6 HfNpP2 HfP
2025-03-09 05:06:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044863293).
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 agm044863293
data_agm044863293
_cell_length_a 6.60813
_cell_length_b 6.60813
_cell_length_c 6.62950
_cell_angle_alpha 80.45487
_cell_angle_beta 99.54513
_cell_angle_gamma 60.09511
_cell_volume 236.78744
_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
Ho1 Ho 0.00000 0.00000 0.50000 1.00000
Hf1 Hf 0.16503 0.16503 0.00000 1.00000
Hf2 Hf 0.83497 0.83497 0.00000 1.00000
Hf3 Hf 0.50000 0.50000 0.00000 1.00000
Np1 Np 0.33344 0.33344 0.50000 1.00000
Np2 Np 0.66656 0.66656 0.50000 1.00000
P1 P 0.42418 0.91165 0.76470 1.00000
P2 P 0.24713 0.75287 0.23440 1.00000
P3 P 0.57582 0.08835 0.23530 1.00000
P4 P 0.08835 0.57582 0.76470 1.00000
P5 P 0.75287 0.24713 0.76560 1.00000
P6 P 0.91165 0.42418 0.23530 1.00000
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