TbCe(HoP2)2
Alexandria ALEXAlex-ID: agm046908910 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_74_spg74
CeHo2P3 Tb2CeP3 CeHo5P6
2024-12-04 07:55:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046908910).
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 agm046908910
data_agm046908910
_cell_length_a 8.03631
_cell_length_b 8.03631
_cell_length_c 8.03631
_cell_angle_alpha 119.99169
_cell_angle_beta 119.91809
_cell_angle_gamma 90.07816
_cell_volume 367.24072
_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 0.00000 0.00000 1.00000
Tb2 Tb 0.50000 0.50000 0.50000 1.00000
Ce1 Ce 0.00000 0.50000 0.50000 1.00000
Ce2 Ce 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.00000 0.50000 1.00000
Ho2 Ho 0.00000 0.00000 0.00000 1.00000
Ho3 Ho 0.00000 0.50000 0.00000 1.00000
Ho4 Ho 0.00000 0.00000 0.50000 1.00000
P1 P 0.75087 0.75338 0.50251 1.00000
P2 P 0.75087 0.24836 0.99749 1.00000
P3 P 0.24913 0.75164 0.00251 1.00000
P4 P 0.24913 0.24662 0.49749 1.00000
P5 P 0.75117 0.24945 0.50172 1.00000
P6 P 0.24773 0.24945 0.99828 1.00000
P7 P 0.75227 0.75055 0.00172 1.00000
P8 P 0.24883 0.75055 0.49828 1.00000
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