Ho4CrHCl2
Alexandria ALEXAlex-ID: agm007453458 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_950_spg10
HoHCl HoCl3 Ho Cr
2024-07-09 22:01:58.614658
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007453458).
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 agm007453458
data_agm007453458
_cell_length_a 3.60200
_cell_length_b 6.38937
_cell_length_c 8.66237
_cell_angle_alpha 60.27305
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 173.12406
_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 0.50000 0.45233 0.31426 1.00000
Ho2 Ho 0.50000 0.54767 0.68574 1.00000
Ho3 Ho 0.00000 0.04499 0.71991 1.00000
Ho4 Ho 0.00000 0.95501 0.28009 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
H1 H 0.00000 0.50000 0.50000 1.00000
Cl1 Cl 0.50000 0.00000 0.00000 1.00000
Cl2 Cl 0.00000 0.50000 0.00000 1.00000
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