La2Pr4SmMg
Alexandria ALEXAlex-ID: agm004863942 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_268_spg115
La3Pr5 PrSm4 LaPrMg2 Pr
2022-07-17 03:22:01.345848
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004863942).
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 agm004863942
data_agm004863942
_cell_length_a 5.98491
_cell_length_b 5.97465
_cell_length_c 9.72521
_cell_angle_alpha 52.09267
_cell_angle_beta 89.99951
_cell_angle_gamma 89.99949
_cell_volume 274.37781
_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
La1 La 0.00000 0.00000 1.00000 1.00000
La2 La 0.50000 0.00000 0.50000 1.00000
Pr1 Pr 0.00000 0.76673 0.73269 1.00000
Pr2 Pr 1.00000 0.23327 0.26731 1.00000
Pr3 Pr 0.50000 0.73283 0.26733 1.00000
Pr4 Pr 0.50000 0.26717 0.73267 1.00000
Sm1 Sm 0.50000 0.50000 1.00000 1.00000
Mg1 Mg 0.00000 0.49999 0.50000 1.00000
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