Tm4AlSi4Os
Alexandria ALEXAlex-ID: agm022010130 · 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
ABC4D4_11_spg12
Tm2Si2Os Tm3Al3Si2Os Tm2Si5Os3 TmSi
2024-12-20 19:49:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022010130).
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 agm022010130
data_agm022010130
_cell_length_a 9.96885
_cell_length_b 9.96885
_cell_length_c 9.76092
_cell_angle_alpha 75.39254
_cell_angle_beta 104.60746
_cell_angle_gamma 155.65698
_cell_volume 386.30510
_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 0.72141 0.27859 0.84331 1.00000
Tm2 Tm 0.27859 0.72141 0.15669 1.00000
Tm3 Tm 0.62389 0.37611 0.49163 1.00000
Tm4 Tm 0.37611 0.62389 0.50837 1.00000
Tm5 Tm 0.62601 0.37399 0.14178 1.00000
Tm6 Tm 0.37399 0.62601 0.85822 1.00000
Tm7 Tm 0.46003 0.53997 0.22649 1.00000
Tm8 Tm 0.53997 0.46003 0.77351 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
Si1 Si 0.93734 0.06266 0.71952 1.00000
Si2 Si 0.06266 0.93734 0.28048 1.00000
Si3 Si 0.86881 0.13119 0.30964 1.00000
Si4 Si 0.13119 0.86881 0.69036 1.00000
Si5 Si 0.86402 0.13598 0.05466 1.00000
Si6 Si 0.13598 0.86402 0.94534 1.00000
Si7 Si 0.19463 0.80537 0.35568 1.00000
Si8 Si 0.80537 0.19463 0.64432 1.00000
Os1 Os 0.75777 0.24223 0.38555 1.00000
Os2 Os 0.24223 0.75777 0.61445 1.00000
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