Yb3B2Pd7
Alexandria ALEXAlex-ID: agm002199732 · 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
A2B3C7_3_spg166
YbB4 Yb2BPd6 YbPd
2018-07-16 19:52:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199732).
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 agm002199732
data_agm002199732
_cell_length_a 5.50202
_cell_length_b 5.50202
_cell_length_c 8.23611
_cell_angle_alpha 70.30195
_cell_angle_beta 70.30195
_cell_angle_gamma 59.93700
_cell_volume 198.78142
_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
B1 B 0.83340 0.83340 0.50201 1.00000
B2 B 0.16660 0.16660 0.49799 1.00000
Yb1 Yb 0.64404 0.64404 0.06753 1.00000
Yb2 Yb 0.35596 0.35596 0.93247 1.00000
Yb3 Yb 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.06459 0.56553 0.30492 1.00000
Pd2 Pd 0.56553 0.06459 0.30492 1.00000
Pd3 Pd 0.06500 0.06500 0.30433 1.00000
Pd4 Pd 0.93500 0.93500 0.69567 1.00000
Pd5 Pd 0.43447 0.93541 0.69508 1.00000
Pd6 Pd 0.93541 0.43447 0.69508 1.00000
Pd7 Pd 0.00000 0.00000 0.00000 1.00000
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