Tb2Y3Tl4
Alexandria ALEXAlex-ID: agm030478519 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_99_spg14
Tb5Tl4 Y5Tl4
2025-01-25 09:44:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030478519).
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 agm030478519
data_agm030478519
_cell_length_a 7.60600
_cell_length_b 8.60631
_cell_length_c 8.36558
_cell_angle_alpha 90.00000
_cell_angle_beta 106.55558
_cell_angle_gamma 90.00000
_cell_volume 524.90549
_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 0.55906 0.69698 0.17499 1.00000
Tb2 Tb 0.94094 0.19698 0.82501 1.00000
Tb3 Tb 0.44094 0.30301 0.82501 1.00000
Tb4 Tb 0.05906 0.80302 0.17499 1.00000
Y1 Y 0.00000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.75812 0.16171 0.24051 1.00000
Y4 Y 0.74188 0.66171 0.75949 1.00000
Y5 Y 0.24188 0.83829 0.75949 1.00000
Y6 Y 0.25812 0.33829 0.24051 1.00000
Tl1 Tl 0.84104 0.46534 0.08710 1.00000
Tl2 Tl 0.65896 0.96534 0.91290 1.00000
Tl3 Tl 0.15896 0.53466 0.91290 1.00000
Tl4 Tl 0.34104 0.03466 0.08710 1.00000
Tl5 Tl 0.86949 0.85629 0.47583 1.00000
Tl6 Tl 0.63051 0.35629 0.52417 1.00000
Tl7 Tl 0.13051 0.14371 0.52417 1.00000
Tl8 Tl 0.36949 0.64371 0.47583 1.00000
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