PrNdMoN3
Alexandria ALEXAlex-ID: agm005040468 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_393_spg11
NdMoN2 PrN
2022-07-08 22:15:11.138241
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005040468).
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 agm005040468
data_agm005040468
_cell_length_a 3.59327
_cell_length_b 7.60068
_cell_length_c 8.29454
_cell_angle_alpha 98.03425
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 224.31077
_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
Pr1 Pr 0.75000 0.82823 0.85275 1.00000
Pr2 Pr 0.25000 0.17177 0.14725 1.00000
Nd1 Nd 0.25000 0.63151 0.16268 1.00000
Nd2 Nd 0.75000 0.36849 0.83732 1.00000
Mo1 Mo 0.25000 0.06661 0.61335 1.00000
Mo2 Mo 0.75000 0.93339 0.38665 1.00000
N1 N 0.25000 0.83779 0.44384 1.00000
N2 N 0.75000 0.89127 0.14838 1.00000
N3 N 0.75000 0.39269 0.12940 1.00000
N4 N 0.75000 0.16221 0.55616 1.00000
N5 N 0.25000 0.60731 0.87060 1.00000
N6 N 0.25000 0.10873 0.85162 1.00000
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