NaMn2AsO8
Alexandria ALEXAlex-ID: agm004902452 · 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
ABC2D8_339_spg12
NaMn8O16 NaMnAs2O7 NaO4 Mn(AsO3)2
2023-01-06 04:18:06.383205
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004902452).
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 agm004902452
data_agm004902452
_cell_length_a 4.76349
_cell_length_b 4.76324
_cell_length_c 6.62777
_cell_angle_alpha 78.49339
_cell_angle_beta 78.49638
_cell_angle_gamma 74.14900
_cell_volume 140.07002
_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 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.43923 0.43919 0.72959 1.00000
Mn2 Mn 0.56077 0.56081 0.27041 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
O1 O 0.20097 0.74739 0.21360 1.00000
O2 O 0.75623 0.75646 0.04356 1.00000
O3 O 0.74764 0.20105 0.21362 1.00000
O4 O 0.79903 0.25261 0.78640 1.00000
O5 O 0.24377 0.24354 0.95644 1.00000
O6 O 0.25236 0.79895 0.78638 1.00000
O7 O 0.66292 0.66319 0.47429 1.00000
O8 O 0.33708 0.33681 0.52571 1.00000
获取直接链接