NdHN
Alexandria ALEXAlex-ID: agm003600580 · 空间群: P4mm (#99)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_123_spg123
NdH3 H3N NdN
2022-03-07 04:07:33.852410
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003600580).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003600580
data_agm003600580
_cell_length_a 3.54046
_cell_length_b 3.54090
_cell_length_c 4.17603
_cell_angle_alpha 89.89508
_cell_angle_beta 90.05040
_cell_angle_gamma 90.00200
_cell_volume 52.35223
_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
Nd1 Nd 0.98344 0.23548 0.61122 1.00000
H1 H 0.48335 0.73565 0.93633 1.00000
N1 N 0.48337 0.73537 0.68379 1.00000
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