RbBaAc4N3
Alexandria ALEXAlex-ID: agm085792003 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3D4_218_spg191
Rb Ac Ba AcN
2025-02-23 04:17:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm085792003).
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 agm085792003
data_agm085792003
_cell_length_a 6.63924
_cell_length_b 6.63924
_cell_length_c 8.67267
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 331.07006
_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
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Ac1 Ac 0.33333 0.66667 0.69301 1.00000
Ac2 Ac 0.66667 0.33333 0.30699 1.00000
Ac3 Ac 0.66667 0.33333 0.69301 1.00000
Ac4 Ac 0.33333 0.66667 0.30699 1.00000
N1 N 0.00000 0.50000 0.50000 1.00000
N2 N 0.50000 0.00000 0.50000 1.00000
N3 N 0.50000 0.50000 0.50000 1.00000
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