Tm6Zn3PdRh2
Alexandria ALEXAlex-ID: agm041233337 · 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_407_spg2
Tm2PdRh Tm3Zn2Rh TmPd
2025-01-19 13:57:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041233337).
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 agm041233337
data_agm041233337
_cell_length_a 4.90728
_cell_length_b 7.74165
_cell_length_c 7.74646
_cell_angle_alpha 66.30270
_cell_angle_beta 71.61184
_cell_angle_gamma 71.48470
_cell_volume 249.47837
_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
Tm1 Tm 0.91987 0.74058 0.41985 1.00000
Tm2 Tm 0.74822 0.26273 0.24144 1.00000
Tm3 Tm 0.08013 0.25942 0.58015 1.00000
Tm4 Tm 0.58923 0.73847 0.08302 1.00000
Tm5 Tm 0.25178 0.73727 0.75856 1.00000
Tm6 Tm 0.41077 0.26153 0.91698 1.00000
Zn1 Zn 0.66616 0.00107 0.66568 1.00000
Zn2 Zn 0.33384 0.99893 0.33432 1.00000
Zn3 Zn 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.83413 0.50090 0.83125 1.00000
Rh2 Rh 0.16587 0.49910 0.16875 1.00000
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