Mo(NO4)2
Alexandria ALEXAlex-ID: agm005284730 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_114_spg14
Mo(NO4)2
2023-05-01 08:43:48.954723
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284730).
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 agm005284730
data_agm005284730
_cell_length_a 5.48628
_cell_length_b 8.78221
_cell_length_c 15.54559
_cell_angle_alpha 67.07978
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 689.87719
_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
Mo1 Mo 0.66056 0.44427 0.17627 1.00000
Mo2 Mo 0.83944 0.44427 0.67627 1.00000
Mo3 Mo 0.33944 0.55573 0.82373 1.00000
Mo4 Mo 0.16056 0.55573 0.32373 1.00000
N1 N 0.86950 0.15391 0.26930 1.00000
N2 N 0.63050 0.15391 0.76930 1.00000
N3 N 0.13050 0.84609 0.73070 1.00000
N4 N 0.36950 0.84609 0.23070 1.00000
N5 N 0.83234 0.71874 0.04571 1.00000
N6 N 0.66766 0.71874 0.54571 1.00000
N7 N 0.16766 0.28126 0.95429 1.00000
N8 N 0.33234 0.28126 0.45429 1.00000
O1 O 0.96020 0.02165 0.31301 1.00000
O2 O 0.53980 0.02165 0.81301 1.00000
O3 O 0.03980 0.97835 0.68699 1.00000
O4 O 0.46020 0.97835 0.18699 1.00000
O5 O 0.66509 0.20654 0.29268 1.00000
O6 O 0.83491 0.20654 0.79268 1.00000
O7 O 0.33491 0.79346 0.70732 1.00000
O8 O 0.16509 0.79346 0.20732 1.00000
O9 O 0.95974 0.26475 0.19323 1.00000
O10 O 0.54026 0.26475 0.69323 1.00000
O11 O 0.04026 0.73525 0.80677 1.00000
O12 O 0.45974 0.73525 0.30677 1.00000
O13 O 0.62925 0.70567 0.09379 1.00000
O14 O 0.87075 0.70567 0.59379 1.00000
O15 O 0.37075 0.29433 0.90621 1.00000
O16 O 0.12925 0.29433 0.40621 1.00000
O17 O 0.94045 0.57561 0.07150 1.00000
O18 O 0.55955 0.57561 0.57150 1.00000
O19 O 0.05955 0.42439 0.92850 1.00000
O20 O 0.44045 0.42439 0.42850 1.00000
O21 O 0.90615 0.84500 0.98726 1.00000
O22 O 0.59385 0.84500 0.48726 1.00000
O23 O 0.09385 0.15500 0.01274 1.00000
O24 O 0.40615 0.15500 0.51274 1.00000
O25 O 0.51707 0.37747 0.09995 1.00000
O26 O 0.98293 0.37747 0.59995 1.00000
O27 O 0.48293 0.62253 0.90005 1.00000
O28 O 0.01707 0.62253 0.40005 1.00000
O29 O 0.41065 0.48418 0.24020 1.00000
O30 O 0.08935 0.48418 0.74020 1.00000
O31 O 0.58935 0.51582 0.75980 1.00000
O32 O 0.91065 0.51582 0.25980 1.00000
