TbPm2(SmSb2)3
Alexandria ALEXAlex-ID: agm040369072 · 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_1_spg12
Pm3SmSb4 Tb3SmSb4 PmSm3Sb4
2024-11-08 21:03:43.119581
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040369072).
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 agm040369072
data_agm040369072
_cell_length_a 7.73781
_cell_length_b 7.73781
_cell_length_c 7.73527
_cell_angle_alpha 80.40814
_cell_angle_beta 80.40814
_cell_angle_gamma 119.99953
_cell_volume 378.16489
_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 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.66615 0.33385 0.00000 1.00000
Pm2 Pm 0.33385 0.66615 0.00000 1.00000
Sm1 Sm 0.83200 0.16800 0.50000 1.00000
Sm2 Sm 0.16800 0.83200 0.50000 1.00000
Sm3 Sm 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.58694 0.91719 0.24894 1.00000
Sb2 Sb 0.75357 0.75357 0.74956 1.00000
Sb3 Sb 0.41306 0.08281 0.75106 1.00000
Sb4 Sb 0.91719 0.58694 0.24894 1.00000
Sb5 Sb 0.24643 0.24643 0.25044 1.00000
Sb6 Sb 0.08281 0.41306 0.75106 1.00000
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