La2Pr4YEr2
Alexandria ALEXAlex-ID: agm004557985 · 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
AB2C2D4_212_spg12
La3Pr5 PrY2 Pr YEr5
2022-06-19 23:41:54.325527
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004557985).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004557985
data_agm004557985
_cell_length_a 5.20236
_cell_length_b 8.22773
_cell_length_c 8.14175
_cell_angle_alpha 107.71308
_cell_angle_beta 90.00000
_cell_angle_gamma 108.43013
_cell_volume 313.15889
_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 0.88858 0.77715 0.32949 1.00000
La2 La 0.11142 0.22285 0.67051 1.00000
Pr1 Pr 0.77914 0.55829 0.67152 1.00000
Pr2 Pr 0.22086 0.44171 0.32848 1.00000
Pr3 Pr 0.55559 0.11119 0.33067 1.00000
Pr4 Pr 0.44441 0.88881 0.66933 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.33283 0.66566 0.99988 1.00000
Er2 Er 0.66717 0.33434 0.00012 1.00000
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