CaTb2HoSe4
Alexandria ALEXAlex-ID: agm030470123 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_39_spg82
TbHo4Se5 Tb4HoSe5 CaSe
2025-06-30 20:19:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030470123).
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 agm030470123
data_agm030470123
_cell_length_a 7.10720
_cell_length_b 7.10720
_cell_length_c 7.10720
_cell_angle_alpha 131.82967
_cell_angle_beta 131.82967
_cell_angle_gamma 70.49817
_cell_volume 195.30437
_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 0.25000 0.75000 0.50000 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Tb2 Tb 0.75000 0.25000 0.50000 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.74837 0.74837 0.00000 1.00000
Se2 Se 0.25163 0.25163 0.00000 1.00000
Se3 Se 0.49825 0.99825 0.50000 1.00000
Se4 Se 0.00175 0.50175 0.50000 1.00000
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