TmB4Ru
Alexandria ALEXAlex-ID: agm003232255 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_302_spg55
TmB4Ru
2021-12-10 16:55:18.444243
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003232255).
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 agm003232255
data_agm003232255
_cell_length_a 3.53411
_cell_length_b 5.92647
_cell_length_c 11.45946
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 240.01641
_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 0.50000 0.12905 0.14983 1.00000
Tm2 Tm 0.50000 0.87095 0.85017 1.00000
Tm3 Tm 0.50000 0.62905 0.35017 1.00000
Tm4 Tm 0.50000 0.37095 0.64983 1.00000
B1 B 0.00000 0.47654 0.19242 1.00000
B2 B 0.00000 0.52346 0.80758 1.00000
B3 B 0.00000 0.97654 0.30758 1.00000
B4 B 0.00000 0.02346 0.69242 1.00000
B5 B 0.00000 0.29047 0.31411 1.00000
B6 B 0.00000 0.70953 0.68589 1.00000
B7 B 0.00000 0.79047 0.18589 1.00000
B8 B 0.00000 0.20953 0.81411 1.00000
B9 B 0.00000 0.36478 0.47005 1.00000
B10 B 0.00000 0.63522 0.52995 1.00000
B11 B 0.00000 0.86478 0.02995 1.00000
B12 B 0.00000 0.13522 0.97005 1.00000
B13 B 0.00000 0.38736 0.04723 1.00000
B14 B 0.00000 0.61264 0.95277 1.00000
B15 B 0.00000 0.88736 0.45277 1.00000
B16 B 0.00000 0.11264 0.54723 1.00000
Ru1 Ru 0.50000 0.14155 0.40688 1.00000
Ru2 Ru 0.50000 0.85845 0.59312 1.00000
Ru3 Ru 0.50000 0.64155 0.09312 1.00000
Ru4 Ru 0.50000 0.35845 0.90688 1.00000
