Pm2Sm(DyS2)3
Alexandria ALEXAlex-ID: agm033562736 · 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
PmSm4S5 PmDy4S5 Pm4SmS5
2024-11-09 03:23:33.730594
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033562736).
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
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# CIF generated by HEAS from Alexandria entry agm033562736
data_agm033562736
_cell_length_a 8.89283
_cell_length_b 8.89283
_cell_length_c 7.89185
_cell_angle_alpha 76.45919
_cell_angle_beta 76.45919
_cell_angle_gamma 25.88558
_cell_volume 264.48962
_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 0.16692 0.16692 0.66628 1.00000
Pm2 Pm 0.83308 0.83308 0.33372 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Dy1 Dy 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.16709 0.16709 0.16671 1.00000
Dy3 Dy 0.83291 0.83291 0.83329 1.00000
S1 S 0.66862 0.66862 0.92366 1.00000
S2 S 0.33609 0.33609 0.58990 1.00000
S3 S 0.33138 0.33138 0.07634 1.00000
S4 S 0.00274 0.00274 0.25501 1.00000
S5 S 0.99726 0.99726 0.74499 1.00000
S6 S 0.66391 0.66391 0.41010 1.00000
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