Pr3(NdPb2)2
Alexandria ALEXAlex-ID: agm003340352 · 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
A2B3C4_311_spg12
Pr2Nd3Pb4 Pr3Pb4 Pr4Pb3
2022-01-30 01:28:03.793415
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340352).
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 agm003340352
data_agm003340352
_cell_length_a 4.99727
_cell_length_b 7.34522
_cell_length_c 10.52930
_cell_angle_alpha 122.44984
_cell_angle_beta 90.00000
_cell_angle_gamma 109.88732
_cell_volume 298.46982
_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 0.64623 0.29245 0.69855 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.35377 0.70755 0.30145 1.00000
Nd1 Nd 0.64485 0.28970 0.31739 1.00000
Nd2 Nd 0.35515 0.71030 0.68261 1.00000
Pb1 Pb 0.67389 0.34777 0.02909 1.00000
Pb2 Pb 0.32611 0.65223 0.97091 1.00000
Pb3 Pb 0.93674 0.87348 0.58651 1.00000
Pb4 Pb 0.06326 0.12652 0.41349 1.00000
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