Tm(TlBr2)4
Alexandria ALEXAlex-ID: agm097306791 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_191_spg2
TlBr2 Tm(TlBr2)3
2025-06-20 18:15:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097306791).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097306791
data_agm097306791
_cell_length_a 7.22201
_cell_length_b 8.52542
_cell_length_c 10.04306
_cell_angle_alpha 68.60981
_cell_angle_beta 78.17520
_cell_angle_gamma 91.22503
_cell_volume 560.40348
_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 0.53266 0.94839 0.10952 1.00000
Tl1 Tl 0.14819 0.00262 0.84731 1.00000
Tl2 Tl 0.97848 0.48902 0.02220 1.00000
Tl3 Tl 0.95392 0.50869 0.51873 1.00000
Tl4 Tl 0.03188 0.01396 0.42558 1.00000
Br1 Br 0.29018 0.19206 0.09493 1.00000
Br2 Br 0.22007 0.71932 0.18487 1.00000
Br3 Br 0.18475 0.67753 0.72645 1.00000
Br4 Br 0.24206 0.25239 0.52771 1.00000
Br5 Br 0.62386 0.84300 0.36370 1.00000
Br6 Br 0.78128 0.33322 0.32231 1.00000
Br7 Br 0.80132 0.22457 0.92585 1.00000
Br8 Br 0.71137 0.79525 0.93084 1.00000
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