Nd4Sm3Te8
Alexandria ALEXAlex-ID: agm047952949 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C8_160_spg166
Nd2(SmTe2)3 NdTe
2025-01-25 08:08:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047952949).
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 agm047952949
data_agm047952949
_cell_length_a 8.91479
_cell_length_b 8.91479
_cell_length_c 8.91479
_cell_angle_alpha 59.94368
_cell_angle_beta 59.94368
_cell_angle_gamma 59.94368
_cell_volume 500.33729
_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 0.50000 1.00000
Nd2 Nd 0.50000 0.00000 0.00000 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Nd4 Nd 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Sm2 Sm 0.00000 0.50000 0.50000 1.00000
Sm3 Sm 0.50000 0.00000 0.50000 1.00000
Te1 Te 0.25136 0.25136 0.25136 1.00000
Te2 Te 0.74864 0.74864 0.74864 1.00000
Te3 Te 0.74319 0.74319 0.25959 1.00000
Te4 Te 0.25681 0.25681 0.74041 1.00000
Te5 Te 0.25959 0.74319 0.74319 1.00000
Te6 Te 0.74041 0.25681 0.25681 1.00000
Te7 Te 0.74319 0.25959 0.74319 1.00000
Te8 Te 0.25681 0.74041 0.25681 1.00000
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