Pm2NdSmMg
Alexandria ALEXAlex-ID: agm005014567 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1555_spg11
PmSm2 Pm2Nd PmNdMg2
2022-07-04 14:13:39.281920
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014567).
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 agm005014567
data_agm005014567
_cell_length_a 5.76456
_cell_length_b 6.17975
_cell_length_c 9.63559
_cell_angle_alpha 108.67572
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 325.18014
_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 0.75000 0.10138 0.81287 1.00000
Pm2 Pm 0.25000 0.89862 0.18713 1.00000
Pm3 Pm 0.25000 0.12768 0.59220 1.00000
Pm4 Pm 0.75000 0.87232 0.40780 1.00000
Nd1 Nd 0.75000 0.46354 0.59072 1.00000
Nd2 Nd 0.25000 0.53646 0.40928 1.00000
Sm1 Sm 0.25000 0.71044 0.81239 1.00000
Sm2 Sm 0.75000 0.28956 0.18761 1.00000
Mg1 Mg 0.75000 0.68415 0.00009 1.00000
Mg2 Mg 0.25000 0.31585 0.99991 1.00000
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