Te8PdRh5
Alexandria ALEXAlex-ID: agm006117969 · 空间群: F-43m (#216)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_44_spg216
Te4PdRh2 Te8Rh9 Te2Rh
2023-08-11 06:07:18.997126
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117969).
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 agm006117969
data_agm006117969
_cell_length_a 7.84147
_cell_length_b 7.84147
_cell_length_c 7.84147
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 340.94010
_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
Te1 Te 0.38620 0.84140 0.38620 1.00000
Te2 Te 0.84140 0.38620 0.38620 1.00000
Te3 Te 0.38620 0.38620 0.38620 1.00000
Te4 Te 0.38620 0.38620 0.84140 1.00000
Te5 Te 0.86662 0.86662 0.40013 1.00000
Te6 Te 0.40013 0.86662 0.86662 1.00000
Te7 Te 0.86662 0.86662 0.86662 1.00000
Te8 Te 0.86662 0.40013 0.86662 1.00000
Pd1 Pd 0.25000 0.25000 0.25000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.62489 0.62489 0.12532 1.00000
Rh3 Rh 0.62489 0.62489 0.62489 1.00000
Rh4 Rh 0.12532 0.62489 0.62489 1.00000
Rh5 Rh 0.62489 0.12532 0.62489 1.00000
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