Tb2Pm3PrSb6
Alexandria ALEXAlex-ID: agm042398080 · 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
AB2C3D6_251_spg12
Tb3PmSb4 PmPr3Sb4 Pm3PrSb4
2025-03-12 23:46:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042398080).
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 agm042398080
data_agm042398080
_cell_length_a 9.99798
_cell_length_b 9.99798
_cell_length_c 8.94894
_cell_angle_alpha 77.05692
_cell_angle_beta 102.94308
_cell_angle_gamma 154.13438
_cell_volume 379.80516
_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
Tb1 Tb 0.83255 0.16745 0.16618 1.00000
Tb2 Tb 0.16745 0.83255 0.83382 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.83434 0.16566 0.66776 1.00000
Pm3 Pm 0.16566 0.83434 0.33224 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.33186 0.66814 0.41218 1.00000
Sb2 Sb 0.66786 0.33214 0.07975 1.00000
Sb3 Sb 0.66814 0.33186 0.58782 1.00000
Sb4 Sb 0.00205 0.99795 0.75383 1.00000
Sb5 Sb 0.99795 0.00205 0.24617 1.00000
Sb6 Sb 0.33214 0.66786 0.92025 1.00000
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