Pm2NdYP4
Alexandria ALEXAlex-ID: agm034722557 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_74_spg74
PmNd3P4 Pm3NdP4 YP
2025-04-01 15:33:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034722557).
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 agm034722557
data_agm034722557
_cell_length_a 8.22473
_cell_length_b 8.22473
_cell_length_c 8.22473
_cell_angle_alpha 120.00646
_cell_angle_beta 119.99409
_cell_angle_gamma 89.99953
_cell_volume 393.41318
_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 0.50000 0.00000 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Pm3 Pm 0.00000 0.50000 0.50000 1.00000
Pm4 Pm 0.50000 0.50000 0.00000 1.00000
Nd1 Nd 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.50000 0.00000 0.50000 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
P1 P 0.75367 0.75224 0.00144 1.00000
P2 P 0.25080 0.75224 0.49856 1.00000
P3 P 0.74920 0.24776 0.50144 1.00000
P4 P 0.24633 0.24776 0.99856 1.00000
P5 P 0.75069 0.24618 0.99549 1.00000
P6 P 0.75069 0.75519 0.50451 1.00000
P7 P 0.24931 0.24481 0.49549 1.00000
P8 P 0.24931 0.75382 0.00451 1.00000
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