Ac4P(SeN)2
Alexandria ALEXAlex-ID: agm004559635 · 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
AB2C2D4_211_spg12
Ac6P5Se Ac4Se3N2 Ac3PN5 AcN
2022-06-19 17:45:17.795246
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004559635).
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 agm004559635
data_agm004559635
_cell_length_a 4.23293
_cell_length_b 8.33968
_cell_length_c 7.79037
_cell_angle_alpha 110.50944
_cell_angle_beta 90.00000
_cell_angle_gamma 104.70144
_cell_volume 247.94268
_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
Ac1 Ac 0.78520 0.57040 0.82591 1.00000
Ac2 Ac 0.21480 0.42960 0.17409 1.00000
Ac3 Ac 0.46991 0.93981 0.24582 1.00000
Ac4 Ac 0.53009 0.06019 0.75418 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.87374 0.74747 0.46471 1.00000
Se2 Se 0.12626 0.25253 0.53529 1.00000
N1 N 0.32546 0.65092 0.01658 1.00000
N2 N 0.67454 0.34908 0.98342 1.00000
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