Sr4Th3NpP8
Alexandria ALEXAlex-ID: agm004736735 · 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
AB3C4D8_20_spg12
SrP SrThP2 NpP
2023-02-05 04:42:33.557625
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004736735).
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 agm004736735
data_agm004736735
_cell_length_a 8.46277
_cell_length_b 8.54040
_cell_length_c 8.46273
_cell_angle_alpha 119.69964
_cell_angle_beta 120.00015
_cell_angle_gamma 90.00000
_cell_volume 434.45222
_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
Sr1 Sr 0.50000 0.00000 0.00000 1.00000
Sr2 Sr 0.50000 0.00000 0.50000 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Sr4 Sr 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.50000 0.50000 0.50000 1.00000
Th3 Th 0.00000 0.50000 0.50000 1.00000
Np1 Np 0.00000 0.50000 0.00000 1.00000
P1 P 0.23591 0.71975 0.98385 1.00000
P2 P 0.23588 0.71973 0.47176 1.00000
P3 P 0.25835 0.27503 0.51669 1.00000
P4 P 0.74794 0.71975 0.98385 1.00000
P5 P 0.25206 0.28025 0.01615 1.00000
P6 P 0.74165 0.72497 0.48331 1.00000
P7 P 0.76412 0.28027 0.52824 1.00000
P8 P 0.76409 0.28025 0.01615 1.00000
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