Na3Mg2Br7
Alexandria ALEXAlex-ID: agm101697202 · 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
A2B3C7_701_spg1
Na6MgBr8 MgBr2
2025-05-18 22:46:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101697202).
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 agm101697202
data_agm101697202
_cell_length_a 6.95271
_cell_length_b 6.98830
_cell_length_c 15.20363
_cell_angle_alpha 58.61104
_cell_angle_beta 52.74856
_cell_angle_gamma 59.84842
_cell_volume 482.56351
_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
Na1 Na 0.99095 0.98467 0.00667 1.00000
Na2 Na 0.68730 0.48221 0.30890 1.00000
Na3 Na 0.29959 0.48947 0.70071 1.00000
Mg1 Mg 0.66459 0.65184 0.00233 1.00000
Mg2 Mg 0.32640 0.32107 0.00223 1.00000
Br1 Br 0.55380 0.65049 0.46835 1.00000
Br2 Br 0.85765 0.26378 0.13946 1.00000
Br3 Br 0.50304 0.89570 0.13499 1.00000
Br4 Br 0.22245 0.53653 0.13434 1.00000
Br5 Br 0.13264 0.71382 0.86588 1.00000
Br6 Br 0.77706 0.43236 0.86779 1.00000
Br7 Br 0.48453 0.07806 0.86834 1.00000
获取直接链接