SmIn2CoH8
Alexandria ALEXAlex-ID: agm007226505 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_488_spg2
InH2 SmCoH5 In
2025-04-29 23:29:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007226505).
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 agm007226505
data_agm007226505
_cell_length_a 4.13082
_cell_length_b 4.21016
_cell_length_c 9.02392
_cell_angle_alpha 77.59907
_cell_angle_beta 90.18900
_cell_angle_gamma 60.51290
_cell_volume 132.32123
_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
Sm1 Sm 0.86948 0.19854 0.55750 1.00000
In1 In 0.82966 0.61137 0.21692 1.00000
In2 In 0.26823 0.37072 0.82289 1.00000
Co1 Co 0.03390 0.90969 0.97167 1.00000
H1 H 0.82120 0.21831 0.81615 1.00000
H2 H 0.18513 0.10667 0.04595 1.00000
H3 H 0.38969 0.74833 0.89740 1.00000
H4 H 0.30627 0.59110 0.10423 1.00000
H5 H 0.82810 0.70798 0.94434 1.00000
H6 H 0.73214 0.13274 0.06536 1.00000
H7 H 0.18363 0.56902 0.47146 1.00000
H8 H 0.55246 0.83553 0.58614 1.00000
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