Pm3TmSc6
Alexandria ALEXAlex-ID: agm006019166 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_1220_spg5
Pm PmTm2 Sc
2023-09-21 12:10:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019166).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006019166
data_agm006019166
_cell_length_a 9.32303
_cell_length_b 9.32303
_cell_length_c 6.56479
_cell_angle_alpha 44.75868
_cell_angle_beta 44.75868
_cell_angle_gamma 60.00000
_cell_volume 282.88854
_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
Pm1 Pm 0.34967 0.34967 0.95100 1.00000
Pm2 Pm 0.59975 0.59975 0.20074 1.00000
Pm3 Pm 0.09968 0.09968 0.70097 1.00000
Tm1 Tm 0.84971 0.84971 0.45088 1.00000
Sc1 Sc 0.92617 0.60357 0.20053 1.00000
Sc2 Sc 0.26974 0.92617 0.20053 1.00000
Sc3 Sc 0.60357 0.26974 0.20053 1.00000
Sc4 Sc 0.09693 0.43064 0.69828 1.00000
Sc5 Sc 0.77415 0.09693 0.69828 1.00000
Sc6 Sc 0.43064 0.77415 0.69828 1.00000
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