Pm3SbTe2
Alexandria ALEXAlex-ID: agm037267166 · 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
Pm2SbTe Pm4SbTe3
2024-11-08 21:17:55.533358
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm037267166).
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 agm037267166
data_agm037267166
_cell_length_a 7.76727
_cell_length_b 7.76727
_cell_length_c 7.76727
_cell_angle_alpha 146.48422
_cell_angle_beta 131.98085
_cell_angle_gamma 59.82678
_cell_volume 190.60655
_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
Pm1 Pm 0.16021 0.66021 0.50000 1.00000
Pm2 Pm 0.83979 0.33979 0.50000 1.00000
Pm3 Pm 0.50000 0.00000 0.50000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.66825 0.66825 0.00000 1.00000
Te2 Te 0.33175 0.33175 0.00000 1.00000
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