Li2Pr4Sb3O2
Alexandria ALEXAlex-ID: agm004489481 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3D4_0_spg139
Pr9(SbO)5 Li3PrSb2 LiPrSb Pr2O3
2022-06-18 01:49:50.544858
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004489481).
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 agm004489481
data_agm004489481
_cell_length_a 4.95472
_cell_length_b 4.95472
_cell_length_c 12.39609
_cell_angle_alpha 101.52820
_cell_angle_beta 101.52820
_cell_angle_gamma 90.00000
_cell_volume 291.90757
_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
Li1 Li 0.30430 0.30430 0.60859 1.00000
Li2 Li 0.69570 0.69570 0.39141 1.00000
Pr1 Pr 0.40360 0.90360 0.80719 1.00000
Pr2 Pr 0.90360 0.40360 0.80719 1.00000
Pr3 Pr 0.09640 0.59640 0.19281 1.00000
Pr4 Pr 0.59640 0.09640 0.19281 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Sb2 Sb 0.18343 0.18343 0.36685 1.00000
Sb3 Sb 0.81657 0.81657 0.63315 1.00000
O1 O 0.39424 0.39424 0.78847 1.00000
O2 O 0.60576 0.60576 0.21153 1.00000
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