NdH6C
Alexandria ALEXAlex-ID: agm076238340 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_374_spg12
Nd4H9 H4C C
2025-06-26 14:56:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076238340).
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 agm076238340
data_agm076238340
_cell_length_a 7.76756
_cell_length_b 3.75031
_cell_length_c 3.81830
_cell_angle_alpha 60.42211
_cell_angle_beta 76.40793
_cell_angle_gamma 61.13770
_cell_volume 84.71813
_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 0.06244 0.05912 0.74989 1.00000
H1 H 0.64924 0.74943 0.54786 1.00000
H2 H 0.65735 0.20446 0.93606 1.00000
H3 H 0.93752 0.51463 0.08832 1.00000
H4 H 0.46734 0.57787 0.56710 1.00000
H5 H 0.18736 0.60499 0.41153 1.00000
H6 H 0.47625 0.72456 0.94913 1.00000
C1 C 0.56251 0.56494 0.75011 1.00000
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