Tm5Np3P8
Alexandria ALEXAlex-ID: agm008955871 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C8_29_spg166
TmNp2P3 TmP
2024-04-23 18:06:44.681631
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008955871).
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 agm008955871
data_agm008955871
_cell_length_a 7.88951
_cell_length_b 7.88951
_cell_length_c 7.88951
_cell_angle_alpha 60.02273
_cell_angle_beta 60.02273
_cell_angle_gamma 60.02273
_cell_volume 347.42340
_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
Tm1 Tm 0.00000 0.50000 0.50000 1.00000
Tm2 Tm 0.50000 0.50000 0.00000 1.00000
Tm3 Tm 0.00000 0.00000 0.00000 1.00000
Tm4 Tm 0.50000 0.00000 0.50000 1.00000
Tm5 Tm 0.50000 0.50000 0.50000 1.00000
Np1 Np 0.00000 0.50000 0.00000 1.00000
Np2 Np 0.00000 0.00000 0.50000 1.00000
Np3 Np 0.50000 0.00000 0.00000 1.00000
P1 P 0.25000 0.25000 0.75199 1.00000
P2 P 0.75199 0.25000 0.25000 1.00000
P3 P 0.25000 0.75199 0.25000 1.00000
P4 P 0.75039 0.75039 0.75039 1.00000
P5 P 0.75000 0.75000 0.24801 1.00000
P6 P 0.24801 0.75000 0.75000 1.00000
P7 P 0.75000 0.24801 0.75000 1.00000
P8 P 0.24961 0.24961 0.24961 1.00000
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