Nd7Pb4C
Alexandria ALEXAlex-ID: agm003667088 · 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
AB4C7_98_spg12
Nd4Pb3 Nd3PbC
2022-04-08 16:19:15.959784
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667088).
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 agm003667088
data_agm003667088
_cell_length_a 5.28771
_cell_length_b 9.76313
_cell_length_c 8.67723
_cell_angle_alpha 77.02550
_cell_angle_beta 72.26055
_cell_angle_gamma 74.28811
_cell_volume 405.76117
_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 0.78329 0.86675 0.56666 1.00000
Nd2 Nd 0.21671 0.13325 0.43334 1.00000
Nd3 Nd 0.06490 0.75493 0.11527 1.00000
Nd4 Nd 0.93510 0.24507 0.88473 1.00000
Nd5 Nd 0.36197 0.53783 0.73824 1.00000
Nd6 Nd 0.50000 0.00000 0.00000 1.00000
Nd7 Nd 0.63803 0.46217 0.26176 1.00000
Pb1 Pb 0.58076 0.22366 0.61482 1.00000
Pb2 Pb 0.41924 0.77634 0.38518 1.00000
Pb3 Pb 0.72303 0.65694 0.89700 1.00000
Pb4 Pb 0.27697 0.34306 0.10300 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
获取直接链接