Ac2Tb3Pm5
Alexandria ALEXAlex-ID: agm005602900 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_319_spg15
Tb5Pm3 Ac Pm
2023-06-25 04:17:48.875440
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602900).
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 agm005602900
data_agm005602900
_cell_length_a 11.80546
_cell_length_b 10.18876
_cell_length_c 12.35705
_cell_angle_alpha 133.58682
_cell_angle_beta 135.79990
_cell_angle_gamma 54.52988
_cell_volume 739.60653
_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
Ac1 Ac 0.85935 0.86016 0.71869 1.00000
Ac2 Ac 0.14065 0.13984 0.28131 1.00000
Ac3 Ac 0.35934 0.85853 0.71869 1.00000
Ac4 Ac 0.64066 0.14147 0.28131 1.00000
Tb1 Tb 0.24662 0.99662 0.99325 1.00000
Tb2 Tb 0.75338 0.00338 0.00675 1.00000
Tb3 Tb 0.72152 0.44041 0.25503 1.00000
Tb4 Tb 0.27848 0.55959 0.74497 1.00000
Tb5 Tb 0.03351 0.81462 0.25503 1.00000
Tb6 Tb 0.96649 0.18538 0.74497 1.00000
Pm1 Pm 0.24940 0.49940 0.99881 1.00000
Pm2 Pm 0.75060 0.50060 0.00119 1.00000
Pm3 Pm 0.96850 0.71850 0.43700 1.00000
Pm4 Pm 0.53494 0.28494 0.56989 1.00000
Pm5 Pm 0.03150 0.28150 0.56300 1.00000
Pm6 Pm 0.46506 0.71506 0.43011 1.00000
Pm7 Pm 0.77944 0.56621 0.74967 1.00000
Pm8 Pm 0.22056 0.43379 0.25033 1.00000
Pm9 Pm 0.47023 0.18346 0.74967 1.00000
Pm10 Pm 0.52977 0.81654 0.25033 1.00000
