Tb4Pm3DyS8
Alexandria ALEXAlex-ID: agm077657708 · 空间群: P3_221 (#154)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_157_spg154
Tb4PmS5 Tb2DyS3 TbPm4S5
2025-01-10 08:35:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077657708).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm077657708
data_agm077657708
_cell_length_a 7.97660
_cell_length_b 7.97660
_cell_length_c 19.20228
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 1058.08205
_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 0.66607 0.16713 0.49742 1.00000
Tb2 Tb 0.16825 0.16825 0.50000 1.00000
Tb3 Tb 0.16713 0.66607 0.50258 1.00000
Tb4 Tb 0.00000 0.33507 0.83333 1.00000
Tb5 Tb 0.50107 0.33393 0.83075 1.00000
Tb6 Tb 0.49893 0.83287 0.83592 1.00000
Tb7 Tb 0.83287 0.49893 0.16408 1.00000
Tb8 Tb 0.33393 0.50107 0.16925 1.00000
Tb9 Tb 0.33507 0.00000 0.16667 1.00000
Tb10 Tb 0.66493 0.66493 0.50000 1.00000
Tb11 Tb 0.00000 0.83175 0.83333 1.00000
Tb12 Tb 0.83175 0.00000 0.16667 1.00000
Pm1 Pm 0.16673 0.66666 0.99954 1.00000
Pm2 Pm 0.66657 0.66657 0.00000 1.00000
Pm3 Pm 0.66666 0.16673 0.00046 1.00000
Pm4 Pm 0.00000 0.33343 0.33333 1.00000
Pm5 Pm 0.50007 0.33334 0.33379 1.00000
Pm6 Pm 0.49993 0.83327 0.33287 1.00000
Pm7 Pm 0.83327 0.49993 0.66713 1.00000
Pm8 Pm 0.33334 0.50007 0.66621 1.00000
Pm9 Pm 0.33343 0.00000 0.66667 1.00000
Dy1 Dy 0.16687 0.16687 0.00000 1.00000
Dy2 Dy 0.00000 0.83313 0.33333 1.00000
Dy3 Dy 0.83313 0.00000 0.66667 1.00000
S1 S 0.50802 0.83883 0.58119 1.00000
S2 S 0.66758 0.16887 0.24651 1.00000
S3 S 0.99620 0.83657 0.58177 1.00000
S4 S 0.83657 0.99620 0.41823 1.00000
S5 S 0.16887 0.66758 0.75349 1.00000
S6 S 0.83883 0.50802 0.41881 1.00000
S7 S 0.84038 0.00380 0.91510 1.00000
S8 S 0.15962 0.16343 0.75156 1.00000
S9 S 0.33114 0.00574 0.91473 1.00000
S10 S 0.50128 0.33242 0.57985 1.00000
S11 S 0.49872 0.83113 0.08682 1.00000
S12 S 0.66886 0.67460 0.75193 1.00000
S13 S 0.67460 0.66886 0.24807 1.00000
S14 S 0.83113 0.49872 0.91318 1.00000
S15 S 0.33242 0.50128 0.42015 1.00000
S16 S 0.00574 0.33114 0.08527 1.00000
S17 S 0.16343 0.15962 0.24844 1.00000
S18 S 0.00380 0.84038 0.08490 1.00000
S19 S 0.49198 0.33081 0.08548 1.00000
S20 S 0.33081 0.49198 0.91452 1.00000
S21 S 0.32540 0.99426 0.41860 1.00000
S22 S 0.16117 0.66919 0.24785 1.00000
S23 S 0.66919 0.16117 0.75215 1.00000
S24 S 0.99426 0.32540 0.58140 1.00000
