Tm3Sb2As
Alexandria ALEXAlex-ID: agm005652994 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4_spg71
TmSb TmAs
2023-08-07 04:48:10.549950
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652994).
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 agm005652994
data_agm005652994
_cell_length_a 4.21695
_cell_length_b 6.02369
_cell_length_c 7.38368
_cell_angle_alpha 114.07331
_cell_angle_beta 106.59225
_cell_angle_gamma 90.00000
_cell_volume 162.65328
_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 0.34540 0.34540 0.69080 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.65460 0.65460 0.30920 1.00000
Sb1 Sb 0.67048 0.17048 0.34096 1.00000
Sb2 Sb 0.32952 0.82952 0.65904 1.00000
As1 As 0.00000 0.50000 0.00000 1.00000
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