Ac(Sb3N)2
Alexandria ALEXAlex-ID: agm097658014 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1315_spg146
AcN2 Sb
2025-04-08 14:14:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097658014).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097658014
data_agm097658014
_cell_length_a 4.46267
_cell_length_b 6.12661
_cell_length_c 10.47403
_cell_angle_alpha 87.84103
_cell_angle_beta 102.88530
_cell_angle_gamma 72.92159
_cell_volume 265.20903
_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 0.60830 0.55541 0.92097 1.00000
Sb1 Sb 0.29830 0.37123 0.17319 1.00000
Sb2 Sb 0.37660 0.59708 0.54403 1.00000
Sb3 Sb 0.80108 0.85248 0.68566 1.00000
Sb4 Sb 0.82120 0.22180 0.44651 1.00000
Sb5 Sb 0.23640 0.23797 0.71206 1.00000
Sb6 Sb 0.76094 0.64159 0.27341 1.00000
N1 N 0.80740 0.91551 0.00052 1.00000
N2 N 0.78978 0.10694 0.99364 1.00000
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