AcLa(Pr2Er)2
Alexandria ALEXAlex-ID: agm004771363 · 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
ABC2D4_445_spg12
LaEr2 Ac Pr
2022-07-16 20:53:13.603536
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004771363).
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 agm004771363
data_agm004771363
_cell_length_a 5.23032
_cell_length_b 6.42696
_cell_length_c 9.80463
_cell_angle_alpha 90.01021
_cell_angle_beta 74.53040
_cell_angle_gamma 65.98948
_cell_volume 287.93718
_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
Ac1 Ac 0.50000 0.50000 0.50000 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.12307 0.12559 0.62827 1.00000
Pr2 Pr 0.37329 0.37584 0.87758 1.00000
Pr3 Pr 0.87693 0.87441 0.37173 1.00000
Pr4 Pr 0.62671 0.62416 0.12242 1.00000
Er1 Er 0.74569 0.75511 0.75350 1.00000
Er2 Er 0.25431 0.24489 0.24650 1.00000
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