Pr2Ho4Tm
Alexandria ALEXAlex-ID: agm005874375 · 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
AB2C4_3069_spg12
Pr2Ho7 HoTm5 Pr
2023-10-20 05:43:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874375).
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 agm005874375
data_agm005874375
_cell_length_a 3.72046
_cell_length_b 13.73755
_cell_length_c 18.35166
_cell_angle_alpha 101.31486
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00001
_cell_volume 919.72383
_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 0.00002 0.84189 0.82025 1.00000
Pr2 Pr 0.50002 0.65830 0.17976 1.00000
Pr3 Pr 0.00006 0.40692 0.64417 1.00000
Pr4 Pr 0.50005 0.09307 0.35580 1.00000
Pr5 Pr 0.99998 0.15811 0.17975 1.00000
Pr6 Pr 0.49998 0.34170 0.82024 1.00000
Pr7 Pr 0.99994 0.59308 0.35583 1.00000
Pr8 Pr 0.49995 0.90693 0.64420 1.00000
Ho1 Ho 0.99994 0.69951 0.55665 1.00000
Ho2 Ho 0.49994 0.80045 0.44343 1.00000
Ho3 Ho 0.00003 0.21072 0.92850 1.00000
Ho4 Ho 0.50003 0.28937 0.07170 1.00000
Ho5 Ho 0.00006 0.30049 0.44335 1.00000
Ho6 Ho 0.50006 0.19955 0.55657 1.00000
Ho7 Ho 0.99997 0.78928 0.07150 1.00000
Ho8 Ho 0.49997 0.71063 0.92830 1.00000
Ho9 Ho 0.00004 0.14219 0.69940 1.00000
Ho10 Ho 0.50004 0.35777 0.30047 1.00000
Ho11 Ho 0.99994 0.54752 0.82192 1.00000
Ho12 Ho 0.49994 0.95225 0.17807 1.00000
Ho13 Ho 0.99996 0.85781 0.30060 1.00000
Ho14 Ho 0.49996 0.64223 0.69953 1.00000
Ho15 Ho 0.00006 0.45248 0.17808 1.00000
Ho16 Ho 0.50006 0.04775 0.82193 1.00000
Tm1 Tm 0.00000 0.00000 0.50000 1.00000
Tm2 Tm 0.50000 0.50000 0.50000 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
Tm4 Tm 0.50000 0.00000 0.00000 1.00000
