CoTc5H3
Alexandria ALEXAlex-ID: agm072273293 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1368_spg1
CoTc Tc4H3
2024-09-25 20:11:54.419801
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072273293).
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 agm072273293
data_agm072273293
_cell_length_a 2.84139
_cell_length_b 5.25961
_cell_length_c 6.48120
_cell_angle_alpha 103.13452
_cell_angle_beta 90.01238
_cell_angle_gamma 74.30224
_cell_volume 90.61298
_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
Co1 Co 0.98192 0.02564 0.90182 1.00000
Tc1 Tc 0.92391 0.14229 0.52445 1.00000
Tc2 Tc 0.58739 0.81346 0.15800 1.00000
Tc3 Tc 0.26313 0.46363 0.85453 1.00000
Tc4 Tc 0.33157 0.32680 0.21888 1.00000
Tc5 Tc 0.63737 0.71467 0.58951 1.00000
H1 H 0.09310 0.80251 0.35560 1.00000
H2 H 0.72269 0.54489 0.30100 1.00000
H3 H 0.28190 0.42636 0.54483 1.00000
获取直接链接