Pr2Sm2ErSc2
Alexandria ALEXAlex-ID: agm011371925 · 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
SmErSc6 Pr Pr(SmEr3)2 PrSm4
2024-06-24 11:18:07.021852
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011371925).
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 agm011371925
data_agm011371925
_cell_length_a 8.50645
_cell_length_b 8.50645
_cell_length_c 8.71704
_cell_angle_alpha 61.60841
_cell_angle_beta 61.60841
_cell_angle_gamma 23.19936
_cell_volume 217.24053
_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 0.93158 0.93158 0.92560 1.00000
Pr2 Pr 0.06842 0.06842 0.07440 1.00000
Sm1 Sm 0.29016 0.29016 0.77823 1.00000
Sm2 Sm 0.70984 0.70984 0.22177 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Sc1 Sc 0.35273 0.35273 0.35314 1.00000
Sc2 Sc 0.64727 0.64727 0.64686 1.00000
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