Er5Sc2Bi5
Alexandria ALEXAlex-ID: agm003374473 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_106_spg166
ErScBi ErBi
2022-02-09 14:10:23.680665
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374473).
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 agm003374473
data_agm003374473
_cell_length_a 4.54733
_cell_length_b 4.54657
_cell_length_c 20.63823
_cell_angle_alpha 83.67734
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00556
_cell_volume 366.50431
_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
Er1 Er 0.50000 0.00000 0.50000 1.00000
Er2 Er 0.63939 0.27878 0.08191 1.00000
Er3 Er 0.78011 0.56022 0.65930 1.00000
Er4 Er 0.21989 0.43978 0.34070 1.00000
Er5 Er 0.36061 0.72122 0.91809 1.00000
Sc1 Sc 0.07878 0.15755 0.76382 1.00000
Sc2 Sc 0.92122 0.84245 0.23618 1.00000
Bi1 Bi 0.13836 0.27673 0.58465 1.00000
Bi2 Bi 0.72395 0.44791 0.82812 1.00000
Bi3 Bi 0.27605 0.55209 0.17188 1.00000
Bi4 Bi 0.86164 0.72327 0.41535 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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