Pm2Zn2SbRh5
Alexandria ALEXAlex-ID: agm005141928 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_50_spg127
Pm3Zn2Rh7 PmZn3Rh2 PmSbRh Zn5SbRh6
2022-07-15 06:41:03.176688
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005141928).
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 agm005141928
data_agm005141928
_cell_length_a 3.67844
_cell_length_b 9.80328
_cell_length_c 9.80328
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 353.51455
_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 0.00000 0.67437 0.17437 1.00000
Pm2 Pm 0.00000 0.32563 0.82563 1.00000
Pm3 Pm 0.00000 0.17437 0.32563 1.00000
Pm4 Pm 0.00000 0.82563 0.67437 1.00000
Zn1 Zn 0.00000 0.12320 0.62320 1.00000
Zn2 Zn 0.00000 0.87680 0.37680 1.00000
Zn3 Zn 0.00000 0.62320 0.87680 1.00000
Zn4 Zn 0.00000 0.37680 0.12320 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Sb2 Sb 0.00000 0.50000 0.50000 1.00000
Rh1 Rh 0.50000 0.20599 0.06595 1.00000
Rh2 Rh 0.50000 0.79401 0.93405 1.00000
Rh3 Rh 0.50000 0.06595 0.79401 1.00000
Rh4 Rh 0.50000 0.70599 0.43405 1.00000
Rh5 Rh 0.50000 0.93405 0.20599 1.00000
Rh6 Rh 0.50000 0.29401 0.56595 1.00000
Rh7 Rh 0.50000 0.56595 0.70599 1.00000
Rh8 Rh 0.50000 0.43405 0.29401 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.50000 0.00000 0.50000 1.00000
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