La2TbPr4
Alexandria ALEXAlex-ID: agm011618643 · 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
AB2C4_2900_spg2
LaTb4Pr3 La3Pr5 Pr
2024-04-22 15:01:33.162033
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011618643).
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 agm011618643
data_agm011618643
_cell_length_a 8.90467
_cell_length_b 8.90467
_cell_length_c 9.15528
_cell_angle_alpha 61.55604
_cell_angle_beta 61.55604
_cell_angle_gamma 23.36993
_cell_volume 251.60503
_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 0.35892 0.35892 0.35014 1.00000
La2 La 0.64108 0.64108 0.64986 1.00000
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.29454 0.29454 0.78862 1.00000
Pr2 Pr 0.70546 0.70546 0.21138 1.00000
Pr3 Pr 0.92995 0.92995 0.92631 1.00000
Pr4 Pr 0.07005 0.07005 0.07369 1.00000
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