Sm3Sc7Ir4
Alexandria ALEXAlex-ID: agm005703043 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
SmScIr Sc11Ir4 Sm
2023-06-29 17:34:51.496094
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703043).
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 agm005703043
data_agm005703043
_cell_length_a 4.46200
_cell_length_b 8.62287
_cell_length_c 8.98500
_cell_angle_alpha 74.43188
_cell_angle_beta 75.62290
_cell_angle_gamma 75.00525
_cell_volume 315.67911
_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 0.30609 0.19089 0.19693 1.00000
Sm2 Sm 0.69391 0.80911 0.80307 1.00000
Sm3 Sm 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.30578 0.85778 0.53066 1.00000
Sc2 Sc 0.49133 0.22995 0.78739 1.00000
Sc3 Sc 0.83423 0.41150 0.92005 1.00000
Sc4 Sc 0.69422 0.14222 0.46934 1.00000
Sc5 Sc 0.16577 0.58850 0.07995 1.00000
Sc6 Sc 0.00000 0.00000 0.00000 1.00000
Sc7 Sc 0.50867 0.77005 0.21261 1.00000
Ir1 Ir 0.67299 0.43298 0.22103 1.00000
Ir2 Ir 0.32701 0.56702 0.77897 1.00000
Ir3 Ir 0.89540 0.86726 0.34193 1.00000
Ir4 Ir 0.10459 0.13274 0.65807 1.00000
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