Tm4TlH
Alexandria ALEXAlex-ID: agm007357664 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1120_spg12
Tm2TlH Tm
2024-03-26 14:20:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007357664).
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 agm007357664
data_agm007357664
_cell_length_a 6.05743
_cell_length_b 6.25690
_cell_length_c 8.48538
_cell_angle_alpha 104.24321
_cell_angle_beta 109.83921
_cell_angle_gamma 97.16325
_cell_volume 285.46786
_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 0.14372 0.59203 0.38657 1.00000
Tm2 Tm 0.51074 0.59802 0.83224 1.00000
Tm3 Tm 0.12848 0.77075 0.03056 1.00000
Tm4 Tm 0.74060 0.96186 0.25219 1.00000
Tm5 Tm 0.85628 0.40797 0.61343 1.00000
Tm6 Tm 0.48926 0.40198 0.16776 1.00000
Tm7 Tm 0.87152 0.22925 0.96944 1.00000
Tm8 Tm 0.25940 0.03814 0.74781 1.00000
Tl1 Tl 0.69500 0.85745 0.58883 1.00000
Tl2 Tl 0.30500 0.14255 0.41117 1.00000
H1 H 0.82222 0.60632 0.12654 1.00000
H2 H 0.17778 0.39368 0.87346 1.00000
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