Ca3Tb5Pt
Alexandria ALEXAlex-ID: agm072687134 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1100_spg1
Tb3Pt Ca Tb
2024-09-23 19:34:55.590950
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072687134).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm072687134
data_agm072687134
_cell_length_a 6.51488
_cell_length_b 6.51685
_cell_length_c 8.45660
_cell_angle_alpha 103.93851
_cell_angle_beta 104.18560
_cell_angle_gamma 111.61231
_cell_volume 300.98656
_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
Ca1 Ca 0.18171 0.64784 0.99595 1.00000
Ca2 Ca 0.65213 0.18589 0.00427 1.00000
Ca3 Ca 0.45175 0.95151 0.50015 1.00000
Tb1 Tb 0.95169 0.45177 0.50007 1.00000
Tb2 Tb 0.05471 0.05987 0.71378 1.00000
Tb3 Tb 0.83053 0.82428 0.25896 1.00000
Tb4 Tb 0.56588 0.57187 0.74132 1.00000
Tb5 Tb 0.34573 0.34047 0.28627 1.00000
Pt1 Pt 0.96562 0.96556 0.00005 1.00000
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