PmPr3(NdP3)2
Alexandria ALEXAlex-ID: agm047067006 · 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
AB2C3D6_1_spg12
Pr3NdP4 Pm3NdP4 PmNd3P4
2025-01-06 21:08:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047067006).
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
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# CIF generated by HEAS from Alexandria entry agm047067006
data_agm047067006
_cell_length_a 7.24007
_cell_length_b 7.24007
_cell_length_c 7.24012
_cell_angle_alpha 80.42204
_cell_angle_beta 99.57796
_cell_angle_gamma 60.00218
_cell_volume 309.94686
_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
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.16689 0.16689 0.00000 1.00000
Pr2 Pr 0.83311 0.83311 0.00000 1.00000
Pr3 Pr 0.50000 0.50000 0.00000 1.00000
Nd1 Nd 0.33346 0.33346 0.50000 1.00000
Nd2 Nd 0.66654 0.66654 0.50000 1.00000
P1 P 0.41453 0.91764 0.74712 1.00000
P2 P 0.24967 0.75033 0.25260 1.00000
P3 P 0.58547 0.08236 0.25288 1.00000
P4 P 0.08236 0.58547 0.74712 1.00000
P5 P 0.75033 0.24967 0.74740 1.00000
P6 P 0.91764 0.41453 0.25288 1.00000
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