K2Nd(AsO3)2
Alexandria ALEXAlex-ID: agm004572011 · 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
AB2C2D6_0_spg12
KAsO2 NdAsO4 K3Nd(AsO3)2
2022-06-24 14:08:38.480836
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004572011).
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 agm004572011
data_agm004572011
_cell_length_a 6.10344
_cell_length_b 5.86437
_cell_length_c 7.35443
_cell_angle_alpha 112.43607
_cell_angle_beta 90.00000
_cell_angle_gamma 121.35797
_cell_volume 201.08580
_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
K1 K 0.70674 0.41348 0.17260 1.00000
K2 K 0.29326 0.58652 0.82740 1.00000
Nd1 Nd 0.50000 0.00000 0.50000 1.00000
As1 As 0.93875 0.87751 0.78364 1.00000
As2 As 0.06125 0.12249 0.21636 1.00000
O1 O 0.75697 0.51394 0.58261 1.00000
O2 O 0.19757 0.93222 0.24575 1.00000
O3 O 0.26535 0.06778 0.75425 1.00000
O4 O 0.80243 0.06778 0.75425 1.00000
O5 O 0.73465 0.93222 0.24575 1.00000
O6 O 0.24303 0.48606 0.41739 1.00000
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