Tb2CeTmAs4
Alexandria ALEXAlex-ID: agm017116735 · 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
ABC2D4_940_spg44
Tb2CeAs3 TmAs
2025-03-09 10:31:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017116735).
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 agm017116735
data_agm017116735
_cell_length_a 7.16341
_cell_length_b 7.16341
_cell_length_c 7.16341
_cell_angle_alpha 131.74816
_cell_angle_beta 131.74816
_cell_angle_gamma 70.62708
_cell_volume 200.45236
_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 0.75000 0.25000 0.50000 1.00000
Tb2 Tb 0.25000 0.75000 0.50000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
As1 As 0.50000 0.00000 0.50000 1.00000
As2 As 0.00000 0.50000 0.50000 1.00000
As3 As 0.25154 0.25154 0.00000 1.00000
As4 As 0.74847 0.74847 0.00000 1.00000
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