HoNp2P3
Alexandria ALEXAlex-ID: agm005658767 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
HoNp2P3
2023-08-24 08:38:10.022998
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658767).
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 agm005658767
data_agm005658767
_cell_length_a 6.86605
_cell_length_b 6.86605
_cell_length_c 12.53404
_cell_angle_alpha 100.51923
_cell_angle_beta 100.51923
_cell_angle_gamma 109.47831
_cell_volume 528.48044
_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 0.91674 0.91674 0.83348 1.00000
Ho2 Ho 0.33326 0.83326 0.66652 1.00000
Ho3 Ho 0.16674 0.66674 0.33348 1.00000
Ho4 Ho 0.08326 0.08326 0.16652 1.00000
Np1 Np 0.00057 0.50057 0.00113 1.00000
Np2 Np 0.41602 0.41602 0.83204 1.00000
Np3 Np 0.83398 0.33398 0.66796 1.00000
Np4 Np 0.24943 0.24943 0.49887 1.00000
Np5 Np 0.75057 0.75057 0.50113 1.00000
Np6 Np 0.66602 0.16602 0.33204 1.00000
Np7 Np 0.58398 0.58398 0.16796 1.00000
Np8 Np 0.49943 0.99943 0.99887 1.00000
P1 P 0.16750 0.66426 0.83487 1.00000
P2 P 0.66737 0.17061 0.83487 1.00000
P3 P 0.08250 0.08574 0.66513 1.00000
P4 P 0.58263 0.57939 0.66513 1.00000
P5 P 0.99631 0.49631 0.50000 1.00000
P6 P 0.50369 0.00369 0.50000 1.00000
P7 P 0.42061 0.41737 0.33487 1.00000
P8 P 0.91426 0.91750 0.33487 1.00000
P9 P 0.82939 0.33263 0.16513 1.00000
P10 P 0.33574 0.83250 0.16513 1.00000
P11 P 0.25369 0.25369 0.00000 1.00000
P12 P 0.74631 0.74631 1.00000 1.00000
