TmTh2P3
Alexandria ALEXAlex-ID: agm005658077 · 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_5_spg15
TmTh4P5 Tm5ThP6
2023-08-24 08:33:06.882790
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658077).
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 agm005658077
data_agm005658077
_cell_length_a 7.07882
_cell_length_b 7.06131
_cell_length_c 7.07300
_cell_angle_alpha 80.39284
_cell_angle_beta 59.97280
_cell_angle_gamma 70.51806
_cell_volume 288.57331
_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
Tm1 Tm 0.33275 1.00000 0.33449 1.00000
Tm2 Tm 0.66725 0.00000 0.66551 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.50000 0.50000 0.00000 1.00000
Th3 Th 0.83440 0.50000 0.33121 1.00000
Th4 Th 0.16560 0.50000 0.66879 1.00000
P1 P 0.57903 0.24255 0.33987 1.00000
P2 P 0.74005 0.75909 0.00000 1.00000
P3 P 0.42097 0.75745 0.66013 1.00000
P4 P 0.08109 0.75745 0.33987 1.00000
P5 P 0.91891 0.24255 0.66013 1.00000
P6 P 0.25995 0.24091 1.00000 1.00000
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