Ho2ThP3
Alexandria ALEXAlex-ID: agm005658697 · 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
AB2C3_65_spg12
HoTh4P5 Ho3ThP4
2023-08-24 08:10:45.028688
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658697).
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 agm005658697
data_agm005658697
_cell_length_a 4.01313
_cell_length_b 8.05450
_cell_length_c 9.83076
_cell_angle_alpha 108.30725
_cell_angle_beta 90.00000
_cell_angle_gamma 104.42564
_cell_volume 291.11191
_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 0.16942 0.33884 0.33506 1.00000
Ho2 Ho 0.83058 0.66116 0.66494 1.00000
Ho3 Ho 0.32966 0.65932 0.16428 1.00000
Ho4 Ho 0.67034 0.34068 0.83572 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.00000 0.50000 1.00000
P1 P 0.96997 0.93994 0.19472 1.00000
P2 P 0.03003 0.06006 0.80528 1.00000
P3 P 0.69605 0.39210 0.14042 1.00000
P4 P 0.30395 0.60790 0.85958 1.00000
P5 P 0.35861 0.71722 0.47332 1.00000
P6 P 0.64139 0.28278 0.52668 1.00000
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