TbMg3Sc2
Alexandria ALEXAlex-ID: agm017142364 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_229_spg2
TbMg3 MgSc2 TbMg
2025-04-15 06:48:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017142364).
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 agm017142364
data_agm017142364
_cell_length_a 8.17675
_cell_length_b 8.17675
_cell_length_c 7.35987
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.04265
_cell_volume 295.84530
_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 0.33455 0.66545 0.50000 1.00000
Tb2 Tb 0.66545 0.33455 0.50000 1.00000
Mg1 Mg 0.83673 0.16327 0.23641 1.00000
Mg2 Mg 0.50000 0.50000 0.76323 1.00000
Mg3 Mg 0.16327 0.83673 0.76359 1.00000
Mg4 Mg 0.83673 0.16327 0.76359 1.00000
Mg5 Mg 0.16327 0.83673 0.23641 1.00000
Mg6 Mg 0.50000 0.50000 0.23677 1.00000
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Sc2 Sc 0.00000 0.00000 0.00000 1.00000
Sc3 Sc 0.32993 0.67007 0.00000 1.00000
Sc4 Sc 0.67007 0.32993 0.00000 1.00000
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