Ho2Th3C4
Alexandria ALEXAlex-ID: agm005689665 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_352_spg164
Ho4C5 Ho(ThC)2 Th6C5
2023-06-26 19:46:28.216657
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689665).
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 agm005689665
data_agm005689665
_cell_length_a 3.68755
_cell_length_b 3.68755
_cell_length_c 15.29505
_cell_angle_alpha 90.03451
_cell_angle_beta 89.96547
_cell_angle_gamma 120.00090
_cell_volume 180.11627
_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
Ho1 Ho 0.66704 0.33296 0.80911 1.00000
Ho2 Ho 0.33296 0.66704 0.19089 1.00000
Th1 Th 0.66594 0.33406 0.38142 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Th3 Th 0.33406 0.66594 0.61858 1.00000
C1 C 0.33356 0.66644 0.89704 1.00000
C2 C 0.99938 0.00062 0.30485 1.00000
C3 C 0.00062 0.99938 0.69515 1.00000
C4 C 0.66644 0.33356 0.10296 1.00000
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