HoTmP2
Alexandria ALEXAlex-ID: agm080896728 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_12866_spg2
Ho3TmP4 HoTm3P4
2025-02-25 21:56:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080896728).
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 agm080896728
data_agm080896728
_cell_length_a 6.86959
_cell_length_b 7.93552
_cell_length_c 10.50175
_cell_angle_alpha 100.86487
_cell_angle_beta 96.29844
_cell_angle_gamma 106.77239
_cell_volume 530.04831
_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
Ho1 Ho 0.24961 0.20798 0.08297 1.00000
Ho2 Ho 0.75039 0.79202 0.91703 1.00000
Ho3 Ho 0.25017 0.37479 0.74942 1.00000
Ho4 Ho 0.74983 0.62521 0.25058 1.00000
Ho5 Ho 0.75040 0.45833 0.58372 1.00000
Ho6 Ho 0.24960 0.54167 0.41628 1.00000
Tm1 Tm 0.25045 0.04169 0.41709 1.00000
Tm2 Tm 0.74955 0.95831 0.58291 1.00000
Tm3 Tm 0.24982 0.87524 0.75058 1.00000
Tm4 Tm 0.75018 0.12476 0.24942 1.00000
Tm5 Tm 0.25038 0.70862 0.08365 1.00000
Tm6 Tm 0.74962 0.29138 0.91635 1.00000
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.50000 0.00000 0.00000 1.00000
P3 P 0.99883 0.41630 0.16551 1.00000
P4 P 0.00117 0.58370 0.83449 1.00000
P5 P 0.49985 0.83517 0.33312 1.00000
P6 P 0.50015 0.16483 0.66688 1.00000
P7 P 0.99902 0.24775 0.49870 1.00000
P8 P 0.00098 0.75225 0.50130 1.00000
P9 P 0.00120 0.91703 0.16786 1.00000
P10 P 0.99880 0.08297 0.83214 1.00000
P11 P 0.49988 0.66851 0.66650 1.00000
P12 P 0.50012 0.33149 0.33350 1.00000
