Sm3Ho5Ir
Alexandria ALEXAlex-ID: agm072777026 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1195_spg1
Sm2Ho7 Ho3Ir Sm
2024-09-24 21:06:57.914030
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072777026).
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 agm072777026
data_agm072777026
_cell_length_a 6.31589
_cell_length_b 6.95079
_cell_length_c 6.76132
_cell_angle_alpha 109.07055
_cell_angle_beta 88.85070
_cell_angle_gamma 92.81502
_cell_volume 280.19291
_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 0.61069 0.55004 0.64244 1.00000
Sm2 Sm 0.60267 0.01194 0.51726 1.00000
Sm3 Sm 0.44926 0.53059 0.13127 1.00000
Ho1 Ho 0.41339 0.01699 0.02570 1.00000
Ho2 Ho 0.11809 0.73164 0.58484 1.00000
Ho3 Ho 0.92964 0.27451 0.22211 1.00000
Ho4 Ho 0.09495 0.25317 0.71711 1.00000
Ho5 Ho 0.96007 0.73995 0.09977 1.00000
Ir1 Ir 0.82596 0.95779 0.85605 1.00000
Get direct link