SmHo2(PN3)2
Alexandria ALEXAlex-ID: agm030666124 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_24_spg166
SmPN3 HoPN2 HoN
2024-12-22 13:11:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030666124).
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 agm030666124
data_agm030666124
_cell_length_a 6.86082
_cell_length_b 6.86082
_cell_length_c 6.86082
_cell_angle_alpha 47.29904
_cell_angle_beta 47.29904
_cell_angle_gamma 47.29904
_cell_volume 159.54028
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.19409 0.19409 0.19409 1.00000
Ho2 Ho 0.80591 0.80591 0.80591 1.00000
P1 P 0.56336 0.56336 0.56336 1.00000
P2 P 0.43664 0.43664 0.43664 1.00000
N1 N 0.38086 0.73807 0.15653 1.00000
N2 N 0.73807 0.15653 0.38086 1.00000
N3 N 0.15653 0.38086 0.73807 1.00000
N4 N 0.84347 0.61914 0.26193 1.00000
N5 N 0.26193 0.84347 0.61914 1.00000
N6 N 0.61914 0.26193 0.84347 1.00000
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