Tb3Pm(TmS3)2
Alexandria ALEXAlex-ID: agm034342400 · 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_28_spg12
Tb4PmS5 PmTm4S5 Tb4TmS5
2025-01-25 07:18:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034342400).
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 agm034342400
data_agm034342400
_cell_length_a 8.74866
_cell_length_b 8.74866
_cell_length_c 7.85965
_cell_angle_alpha 77.19486
_cell_angle_beta 102.80514
_cell_angle_gamma 154.18400
_cell_volume 255.11110
_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 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.83698 0.16302 0.66613 1.00000
Tb3 Tb 0.16302 0.83698 0.33387 1.00000
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.83466 0.16534 0.16883 1.00000
Tm2 Tm 0.16534 0.83466 0.83117 1.00000
S1 S 0.32923 0.67077 0.40827 1.00000
S2 S 0.66915 0.33085 0.07914 1.00000
S3 S 0.67077 0.32923 0.59173 1.00000
S4 S 0.00331 0.99669 0.75851 1.00000
S5 S 0.99669 0.00331 0.24149 1.00000
S6 S 0.33085 0.66915 0.92086 1.00000
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