Pr2HoTm12
Alexandria ALEXAlex-ID: agm005806503 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_73_spg12
HoTm15 HoTm5 Pr
2023-07-20 21:45:33.712611
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806503).
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 agm005806503
data_agm005806503
_cell_length_a 6.56598
_cell_length_b 6.56598
_cell_length_c 24.71590
_cell_angle_alpha 83.41099
_cell_angle_beta 83.41106
_cell_angle_gamma 115.17368
_cell_volume 941.99506
_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 0.54554 0.04554 0.27197 1.00000
Pr2 Pr 0.04553 0.54553 0.27197 1.00000
Pr3 Pr 0.95446 0.45446 0.72803 1.00000
Pr4 Pr 0.45447 0.95447 0.72803 1.00000
Ho1 Ho 0.50000 1.00000 0.00000 1.00000
Ho2 Ho 0.00000 0.50000 1.00000 1.00000
Tm1 Tm 0.40041 0.40041 0.80017 1.00000
Tm2 Tm 0.90041 0.90041 0.80017 1.00000
Tm3 Tm 0.55588 0.55588 0.92592 1.00000
Tm4 Tm 0.10106 0.60107 0.86526 1.00000
Tm5 Tm 0.00040 0.00043 0.33207 1.00000
Tm6 Tm 0.39894 0.89893 0.13474 1.00000
Tm7 Tm 0.82210 0.32210 0.57041 1.00000
Tm8 Tm 0.50043 0.50040 0.33207 1.00000
Tm9 Tm 0.05588 0.05588 0.92592 1.00000
Tm10 Tm 0.94412 0.94412 0.07408 1.00000
Tm11 Tm 0.33436 0.33437 0.55409 1.00000
Tm12 Tm 0.67790 0.17790 0.42959 1.00000
Tm13 Tm 0.99957 0.99960 0.66793 1.00000
Tm14 Tm 0.16564 0.16563 0.44591 1.00000
Tm15 Tm 0.44412 0.44412 0.07408 1.00000
Tm16 Tm 0.66563 0.66563 0.44591 1.00000
Tm17 Tm 0.83437 0.83437 0.55409 1.00000
Tm18 Tm 0.09959 0.09959 0.19983 1.00000
Tm19 Tm 0.32207 0.82207 0.57043 1.00000
Tm20 Tm 0.49960 0.49957 0.66793 1.00000
Tm21 Tm 0.60106 0.10106 0.86526 1.00000
Tm22 Tm 0.59959 0.59959 0.19983 1.00000
Tm23 Tm 0.17793 0.67793 0.42957 1.00000
Tm24 Tm 0.89894 0.39894 0.13474 1.00000
