Pr3SmEr2
Alexandria ALEXAlex-ID: agm040921871 · 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
AB2C3_1135_spg12
Pr(SmEr3)2 PrSm4 Pr
2025-04-14 06:05:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040921871).
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 agm040921871
data_agm040921871
_cell_length_a 8.10722
_cell_length_b 8.10722
_cell_length_c 10.29039
_cell_angle_alpha 89.92585
_cell_angle_beta 90.07415
_cell_angle_gamma 143.06632
_cell_volume 406.41579
_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
Pr1 Pr 0.08234 0.91766 0.37262 1.00000
Pr2 Pr 0.91766 0.08234 0.62738 1.00000
Pr3 Pr 0.75063 0.24937 0.37115 1.00000
Pr4 Pr 0.24937 0.75063 0.62885 1.00000
Pr5 Pr 0.74962 0.25038 0.87857 1.00000
Pr6 Pr 0.25038 0.74962 0.12143 1.00000
Sm1 Sm 0.41728 0.58272 0.37192 1.00000
Sm2 Sm 0.58272 0.41728 0.62808 1.00000
Er1 Er 0.91873 0.08127 0.12136 1.00000
Er2 Er 0.08127 0.91873 0.87864 1.00000
Er3 Er 0.58090 0.41910 0.12095 1.00000
Er4 Er 0.41910 0.58090 0.87905 1.00000
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