DyTm5In2Pb
Alexandria ALEXAlex-ID: agm005177112 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_41_spg140
Tm2In DyTm17 Dy5Tm5Pb6 Dy3Tm2Pb3
2023-01-07 22:03:09.411297
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005177112).
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 agm005177112
data_agm005177112
_cell_length_a 8.48298
_cell_length_b 8.48298
_cell_length_c 9.28462
_cell_angle_alpha 117.18273
_cell_angle_beta 117.18273
_cell_angle_gamma 90.00000
_cell_volume 509.97744
_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
Dy1 Dy 0.25000 0.75000 0.50000 1.00000
Dy2 Dy 0.75000 0.25000 0.50000 1.00000
Tm1 Tm 0.92329 0.42329 0.26613 1.00000
Tm2 Tm 0.65717 0.15717 0.73387 1.00000
Tm3 Tm 0.07671 0.57671 0.73387 1.00000
Tm4 Tm 0.15717 0.07671 0.73387 1.00000
Tm5 Tm 0.57671 0.65717 0.73387 1.00000
Tm6 Tm 0.84283 0.92329 0.26613 1.00000
Tm7 Tm 0.42329 0.34283 0.26613 1.00000
Tm8 Tm 0.34283 0.84283 0.26613 1.00000
Tm9 Tm 0.50000 0.50000 0.00000 1.00000
Tm10 Tm 0.00000 0.00000 0.00000 1.00000
In1 In 0.11109 0.38891 0.00000 1.00000
In2 In 0.61109 0.11109 1.00000 1.00000
In3 In 0.38891 0.88891 0.00000 1.00000
In4 In 0.88891 0.61109 0.00000 1.00000
Pb1 Pb 0.25000 0.25000 0.50000 1.00000
Pb2 Pb 0.75000 0.75000 0.50000 1.00000
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