Sm4Ho2In
Alexandria ALEXAlex-ID: agm005999979 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2695_spg43
Sm2Ho7 Sm5HoIn2 Sm
2023-10-01 19:21:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999979).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005999979
data_agm005999979
_cell_length_a 6.65762
_cell_length_b 6.65763
_cell_length_c 12.18267
_cell_angle_alpha 96.94123
_cell_angle_beta 96.94089
_cell_angle_gamma 123.73117
_cell_volume 434.08006
_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 0.52249 0.93288 0.36586 1.00000
Ho2 Ho 0.55030 0.15509 0.63340 1.00000
Ho3 Ho 0.18289 0.27249 0.86585 1.00000
Ho4 Ho 0.40509 0.30029 0.13340 1.00000
Sm1 Sm 0.04222 0.70262 0.79130 1.00000
Sm2 Sm 0.67188 0.19074 0.92513 1.00000
Sm3 Sm 0.91551 0.25275 0.20896 1.00000
Sm4 Sm 0.44074 0.42188 0.42513 1.00000
Sm5 Sm 0.98704 0.02318 0.57418 1.00000
Sm6 Sm 0.27318 0.73704 0.07417 1.00000
Sm7 Sm 0.95262 0.79222 0.29130 1.00000
Sm8 Sm 0.50275 0.66551 0.70896 1.00000
In1 In 0.02303 0.53027 0.50119 1.00000
In2 In 0.78027 0.77303 0.00118 1.00000
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