NdTm5Sn6
Alexandria ALEXAlex-ID: agm003676414 · 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
AB5C6_69_spg12
Tm11Sn10 NdSn2 Nd2Tm3Sn4
2022-04-10 03:37:14.019077
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676414).
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 agm003676414
data_agm003676414
_cell_length_a 8.32440
_cell_length_b 6.07976
_cell_length_c 8.21431
_cell_angle_alpha 68.28000
_cell_angle_beta 79.02823
_cell_angle_gamma 59.04973
_cell_volume 331.22239
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.15636 0.68728 1.00000
Tm2 Tm 1.00000 0.32673 0.34655 1.00000
Tm3 Tm 0.50000 0.50000 0.00000 1.00000
Tm4 Tm 0.00000 0.67327 0.65345 1.00000
Tm5 Tm 0.50000 0.84364 0.31272 1.00000
Sn1 Sn 0.73359 0.10297 0.34168 1.00000
Sn2 Sn 0.26641 0.55535 0.34168 1.00000
Sn3 Sn 0.23455 0.28185 0.00000 1.00000
Sn4 Sn 0.76545 0.71815 1.00000 1.00000
Sn5 Sn 0.73359 0.44465 0.65832 1.00000
Sn6 Sn 0.26641 0.89703 0.65832 1.00000
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