BeTl(TcO4)2
Alexandria ALEXAlex-ID: agm004875142 · 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
ABC2D8_38_spg12
TlTcO4 Tc2O7 BeO TcO2
2022-08-10 12:45:58.958375
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875142).
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
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# CIF generated by HEAS from Alexandria entry agm004875142
data_agm004875142
_cell_length_a 5.22709
_cell_length_b 6.72090
_cell_length_c 7.40847
_cell_angle_alpha 67.61016
_cell_angle_beta 69.34269
_cell_angle_gamma 67.11592
_cell_volume 215.21100
_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
Be1 Be 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tc1 Tc 0.31258 0.22939 0.14545 1.00000
Tc2 Tc 0.68742 0.77061 0.85455 1.00000
O1 O 0.84725 0.64974 0.65575 1.00000
O2 O 0.67599 0.56309 0.08492 1.00000
O3 O 0.15275 0.35026 0.34425 1.00000
O4 O 0.32401 0.43691 0.91508 1.00000
O5 O 0.66834 0.05208 0.15819 1.00000
O6 O 0.33166 0.94792 0.84181 1.00000
O7 O 0.12138 0.05208 0.15819 1.00000
O8 O 0.87862 0.94792 0.84181 1.00000
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