Pr6Ho3Tm2Sc
Alexandria ALEXAlex-ID: agm004649755 · 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
AB2C3D6_178_spg12
Pr2Ho7 HoTm5 Pr Sc
2022-06-29 04:11:45.057105
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004649755).
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 agm004649755
data_agm004649755
_cell_length_a 6.25077
_cell_length_b 6.25077
_cell_length_c 11.73619
_cell_angle_alpha 95.09061
_cell_angle_beta 95.09061
_cell_angle_gamma 119.98224
_cell_volume 390.89288
_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 0.91802 0.58713 0.75336 1.00000
Pr2 Pr 0.75104 0.75104 0.24689 1.00000
Pr3 Pr 0.08198 0.41287 0.24664 1.00000
Pr4 Pr 0.58713 0.91802 0.75336 1.00000
Pr5 Pr 0.24896 0.24896 0.75311 1.00000
Pr6 Pr 0.41287 0.08198 0.24664 1.00000
Ho1 Ho 0.16683 0.83317 0.50000 1.00000
Ho2 Ho 0.83317 0.16683 0.50000 1.00000
Ho3 Ho 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.33338 0.66662 0.00000 1.00000
Tm2 Tm 0.66662 0.33338 0.00000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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