Tb2Zr2Pb2C
Alexandria ALEXAlex-ID: agm024992390 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_1_spg139
Zr3PbC2 Zr3PbC Zr2PbC Tb5Pb3
2025-06-07 14:55:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024992390).
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 agm024992390
data_agm024992390
_cell_length_a 8.71111
_cell_length_b 8.71111
_cell_length_c 8.71111
_cell_angle_alpha 149.49294
_cell_angle_beta 149.49294
_cell_angle_gamma 43.68623
_cell_volume 169.87759
_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 0.15737 0.15737 0.00000 1.00000
Tb2 Tb 0.84263 0.84263 0.00000 1.00000
Zr1 Zr 0.50000 0.00000 0.50000 1.00000
Zr2 Zr 0.00000 0.50000 0.50000 1.00000
Pb1 Pb 0.36067 0.36067 0.00000 1.00000
Pb2 Pb 0.63933 0.63933 0.00000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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