PmPr2Nd2Mg
Alexandria ALEXAlex-ID: agm004756331 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_333_spg72
PrNd2 Pm2Nd PrNdMg2 Pr
2022-07-11 09:51:03.308404
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004756331).
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 agm004756331
data_agm004756331
_cell_length_a 6.92095
_cell_length_b 6.49619
_cell_length_c 10.31048
_cell_angle_alpha 108.36253
_cell_angle_beta 109.61068
_cell_angle_gamma 90.00000
_cell_volume 411.52575
_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 0.75000 0.00000 1.00000
Pm2 Pm 0.00000 0.25000 0.00000 1.00000
Pr1 Pr 0.80485 0.15417 0.30835 1.00000
Pr2 Pr 0.50350 0.65417 0.30835 1.00000
Pr3 Pr 0.49650 0.34583 0.69165 1.00000
Pr4 Pr 0.19515 0.84583 0.69165 1.00000
Nd1 Nd 0.30736 0.15176 0.30352 1.00000
Nd2 Nd 0.69264 0.84824 0.69648 1.00000
Nd3 Nd 0.00384 0.34824 0.69648 1.00000
Nd4 Nd 0.99616 0.65176 0.30352 1.00000
Mg1 Mg 0.50000 0.75000 0.00000 1.00000
Mg2 Mg 0.50000 0.25000 0.00000 1.00000
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