TbMg3(ZrCu3)2
Alexandria ALEXAlex-ID: agm040268615 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_242_spg12
TbMgCu4 Tb2MgCu2 Mg2Cu MgZrCu2
2024-12-31 11:02:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040268615).
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 agm040268615
data_agm040268615
_cell_length_a 7.94100
_cell_length_b 7.94100
_cell_length_c 7.94100
_cell_angle_alpha 146.34844
_cell_angle_beta 131.95306
_cell_angle_gamma 59.93749
_cell_volume 204.48364
_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 0.50000 0.50000 0.00000 1.00000
Mg1 Mg 0.66440 0.16440 0.50000 1.00000
Mg2 Mg 0.33560 0.83560 0.50000 1.00000
Mg3 Mg 0.00000 0.50000 0.50000 1.00000
Zr1 Zr 0.83116 0.83116 0.00000 1.00000
Zr2 Zr 0.16884 0.16884 0.00000 1.00000
Cu1 Cu 0.93481 0.67216 0.26266 1.00000
Cu2 Cu 0.77414 0.00000 0.77414 1.00000
Cu3 Cu 0.06519 0.32784 0.73734 1.00000
Cu4 Cu 0.59050 0.32784 0.26266 1.00000
Cu5 Cu 0.22586 0.00000 0.22586 1.00000
Cu6 Cu 0.40950 0.67216 0.73734 1.00000
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