PmDy2(ScTl)2
Alexandria ALEXAlex-ID: agm024133652 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_74_spg12
PmScTl DyScTl PmDy8
2025-05-22 12:23:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024133652).
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 agm024133652
data_agm024133652
_cell_length_a 5.29726
_cell_length_b 5.29726
_cell_length_c 8.55725
_cell_angle_alpha 72.03954
_cell_angle_beta 107.96046
_cell_angle_gamma 120.06010
_cell_volume 194.21571
_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 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.42919 0.57081 0.78740 1.00000
Dy2 Dy 0.57081 0.42919 0.21260 1.00000
Sc1 Sc 0.84360 0.15640 0.03072 1.00000
Sc2 Sc 0.15640 0.84360 0.96928 1.00000
Tl1 Tl 0.28022 0.71978 0.34058 1.00000
Tl2 Tl 0.71978 0.28022 0.65942 1.00000
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