Tb2HoP3
Alexandria ALEXAlex-ID: agm014032357 · 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_144_spg12
TbHo3P4 Tb3HoP4
2024-11-13 10:16:49.776398
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014032357).
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 agm014032357
data_agm014032357
_cell_length_a 6.95283
_cell_length_b 6.95283
_cell_length_c 6.95336
_cell_angle_alpha 80.41539
_cell_angle_beta 80.41539
_cell_angle_gamma 119.99209
_cell_volume 274.51502
_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
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Tb3 Tb 0.16641 0.83359 0.50000 1.00000
Tb4 Tb 0.83359 0.16641 0.50000 1.00000
Ho1 Ho 0.33323 0.66677 0.00000 1.00000
Ho2 Ho 0.66677 0.33323 0.00000 1.00000
P1 P 0.25198 0.25198 0.24814 1.00000
P2 P 0.74802 0.74802 0.75186 1.00000
P3 P 0.91718 0.58254 0.24839 1.00000
P4 P 0.58254 0.91718 0.24839 1.00000
P5 P 0.41746 0.08282 0.75161 1.00000
P6 P 0.08282 0.41746 0.75161 1.00000
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