Sc4BiIr
Alexandria ALEXAlex-ID: agm003755312 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1392_spg12
Sc5Bi3 Sc5Bi2Ir Sc11Ir4
2022-04-19 00:49:21.842312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003755312).
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 agm003755312
data_agm003755312
_cell_length_a 4.64631
_cell_length_b 8.02348
_cell_length_c 8.00747
_cell_angle_alpha 101.93668
_cell_angle_beta 106.82570
_cell_angle_gamma 90.04752
_cell_volume 278.96902
_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
Sc1 Sc 0.67780 0.11682 0.85467 1.00000
Sc2 Sc 0.82676 0.50371 0.15313 1.00000
Sc3 Sc 0.32220 0.88318 0.14533 1.00000
Sc4 Sc 0.17324 0.49629 0.84687 1.00000
Sc5 Sc 0.06339 0.86228 0.62640 1.00000
Sc6 Sc 0.46198 0.65343 0.42361 1.00000
Sc7 Sc 0.93661 0.13772 0.37360 1.00000
Sc8 Sc 0.53802 0.34657 0.57639 1.00000
Bi1 Bi 0.70004 0.75598 0.90028 1.00000
Bi2 Bi 0.29996 0.24402 0.09972 1.00000
Ir1 Ir 0.50000 0.00000 0.50000 1.00000
Ir2 Ir 0.00000 0.50000 0.50000 1.00000
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