YTcB4
Alexandria ALEXAlex-ID: agm005779907 · 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
YTcB4
2023-07-27 05:17:51.295690
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779907).
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 agm005779907
data_agm005779907
_cell_length_a 3.60615
_cell_length_b 5.97542
_cell_length_c 11.56383
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 249.18085
_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
Y1 Y 0.00000 0.62703 0.34998 1.00000
Y2 Y 0.00000 0.37297 0.65002 1.00000
Y3 Y 0.00000 0.12703 0.15002 1.00000
Y4 Y 0.00000 0.87297 0.84998 1.00000
Tc1 Tc 0.00000 0.63272 0.08732 1.00000
Tc2 Tc 0.00000 0.36728 0.91268 1.00000
Tc3 Tc 0.00000 0.13272 0.41268 1.00000
Tc4 Tc 0.00000 0.86728 0.58732 1.00000
B1 B 0.50000 0.78703 0.18473 1.00000
B2 B 0.50000 0.21297 0.81527 1.00000
B3 B 0.50000 0.28703 0.31527 1.00000
B4 B 0.50000 0.71297 0.68473 1.00000
B5 B 0.50000 0.86385 0.03135 1.00000
B6 B 0.50000 0.13615 0.96865 1.00000
B7 B 0.50000 0.36385 0.46865 1.00000
B8 B 0.50000 0.63615 0.53135 1.00000
B9 B 0.50000 0.88700 0.45282 1.00000
B10 B 0.50000 0.11300 0.54718 1.00000
B11 B 0.50000 0.38700 0.04718 1.00000
B12 B 0.50000 0.61300 0.95282 1.00000
B13 B 0.50000 0.97731 0.30776 1.00000
B14 B 0.50000 0.02269 0.69224 1.00000
B15 B 0.50000 0.47731 0.19224 1.00000
B16 B 0.50000 0.52269 0.80776 1.00000
