La2Pr2Y2Er
Alexandria ALEXAlex-ID: agm024084598 · 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
AB2C2D2_13_spg12
LaEr2 LaY2 La3Pr5 PrY2
2025-06-28 16:01:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024084598).
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 agm024084598
data_agm024084598
_cell_length_a 6.34258
_cell_length_b 6.34258
_cell_length_c 8.10969
_cell_angle_alpha 82.49541
_cell_angle_beta 97.50459
_cell_angle_gamma 131.59262
_cell_volume 241.47477
_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 0.85759 0.14241 0.57401 1.00000
La2 La 0.14241 0.85759 0.42599 1.00000
Pr1 Pr 0.42910 0.57090 0.28126 1.00000
Pr2 Pr 0.57090 0.42910 0.71874 1.00000
Y1 Y 0.28475 0.71525 0.86192 1.00000
Y2 Y 0.71525 0.28475 0.13808 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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