Tb7Pb4C
Alexandria ALEXAlex-ID: agm003667097 · 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
AB4C7_98_spg12
Tb4Pb3 Tb10Pb4C3 Tb5Pb3
2022-04-08 16:24:26.217203
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667097).
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 agm003667097
data_agm003667097
_cell_length_a 5.09028
_cell_length_b 9.39639
_cell_length_c 8.51921
_cell_angle_alpha 78.59465
_cell_angle_beta 72.61728
_cell_angle_gamma 74.28434
_cell_volume 371.29089
_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
Tb1 Tb 0.77576 0.86506 0.58343 1.00000
Tb2 Tb 0.22424 0.13494 0.41657 1.00000
Tb3 Tb 0.06102 0.75738 0.12057 1.00000
Tb4 Tb 0.93898 0.24262 0.87943 1.00000
Tb5 Tb 0.36310 0.54171 0.73208 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.63690 0.45829 0.26792 1.00000
Pb1 Pb 0.58418 0.22064 0.61099 1.00000
Pb2 Pb 0.41582 0.77936 0.38901 1.00000
Pb3 Pb 0.72151 0.65256 0.90441 1.00000
Pb4 Pb 0.27849 0.34744 0.09559 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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