Pr6Sm5Tm
Alexandria ALEXAlex-ID: agm006118923 · 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
AB5C6_84_spg12
Sm2Tm7 PrSm4 Pr
2023-09-18 11:07:03.876114
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118923).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm006118923
data_agm006118923
_cell_length_a 6.32038
_cell_length_b 7.33746
_cell_length_c 11.53330
_cell_angle_alpha 108.54274
_cell_angle_beta 122.83055
_cell_angle_gamma 90.03165
_cell_volume 415.93828
_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 0.83359 0.58426 0.66765 1.00000
Pr2 Pr 0.83362 0.08332 0.66771 1.00000
Pr3 Pr 0.49993 0.75090 0.99987 1.00000
Pr4 Pr 0.50007 0.24910 0.00013 1.00000
Pr5 Pr 0.16638 0.91668 0.33229 1.00000
Pr6 Pr 0.16641 0.41574 0.33235 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.66503 0.16596 0.33206 1.00000
Sm2 Sm 0.33261 0.33350 0.66690 1.00000
Sm3 Sm 0.00000 0.50000 0.00000 1.00000
Sm4 Sm 0.66739 0.66650 0.33310 1.00000
Sm5 Sm 0.33497 0.83404 0.66794 1.00000
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