Ac4Sb2PN2
Alexandria ALEXAlex-ID: agm004564591 · 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_191_spg12
Ac3PN5 AcSb Ac2SbN AcP
2022-06-19 17:49:19.468300
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004564591).
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 agm004564591
data_agm004564591
_cell_length_a 4.34901
_cell_length_b 9.35950
_cell_length_c 8.63056
_cell_angle_alpha 117.94518
_cell_angle_beta 104.59316
_cell_angle_gamma 90.00000
_cell_volume 297.44954
_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 0.22296 0.13805 0.44591 1.00000
Ac2 Ac 0.77704 0.86195 0.55409 1.00000
Ac3 Ac 0.51892 0.79149 0.03784 1.00000
Ac4 Ac 0.48108 0.20851 0.96216 1.00000
Sb1 Sb 0.09466 0.55650 0.18932 1.00000
Sb2 Sb 0.90534 0.44350 0.81068 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
N1 N 0.67677 0.98462 0.35355 1.00000
N2 N 0.32323 0.01538 0.64645 1.00000
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