Sm2Ho(TmPd)2
Alexandria ALEXAlex-ID: agm011652016 · 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
AB2C2D2_13_spg12
Ho2Pd HoTm3Pd2 Sm TmPd
2025-04-18 20:57:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011652016).
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 agm011652016
data_agm011652016
_cell_length_a 6.52607
_cell_length_b 6.52607
_cell_length_c 9.12308
_cell_angle_alpha 63.46103
_cell_angle_beta 116.53897
_cell_angle_gamma 147.17213
_cell_volume 186.39352
_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
Sm1 Sm 0.34454 0.65546 0.18683 1.00000
Sm2 Sm 0.65546 0.34454 0.81317 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.11496 0.88504 0.44185 1.00000
Tm2 Tm 0.88504 0.11496 0.55815 1.00000
Pd1 Pd 0.66688 0.33312 0.24226 1.00000
Pd2 Pd 0.33312 0.66688 0.75774 1.00000
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