Er4ScIr3
Alexandria ALEXAlex-ID: agm014633260 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_157_spg140
Er5Ir3 ErScIr ScIr
2025-01-03 11:01:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014633260).
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 agm014633260
data_agm014633260
_cell_length_a 7.93842
_cell_length_b 7.93842
_cell_length_c 6.03672
_cell_angle_alpha 74.45793
_cell_angle_beta 105.54207
_cell_angle_gamma 96.57351
_cell_volume 352.73874
_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 0.69816 0.86740 0.45333 1.00000
Er2 Er 0.30184 0.13260 0.54667 1.00000
Er3 Er 0.12707 0.71080 0.63420 1.00000
Er4 Er 0.86740 0.69816 0.04667 1.00000
Er5 Er 0.87293 0.28920 0.36580 1.00000
Er6 Er 0.13260 0.30184 0.95333 1.00000
Er7 Er 0.71080 0.12707 0.86580 1.00000
Er8 Er 0.28920 0.87293 0.13420 1.00000
Sc1 Sc 0.49639 0.49639 0.75000 1.00000
Sc2 Sc 0.50361 0.50361 0.25000 1.00000
Ir1 Ir 0.99959 0.99959 0.75000 1.00000
Ir2 Ir 0.00041 0.00041 0.25000 1.00000
Ir3 Ir 0.20089 0.49355 0.36545 1.00000
Ir4 Ir 0.79911 0.50645 0.63455 1.00000
Ir5 Ir 0.49355 0.20089 0.13455 1.00000
Ir6 Ir 0.50645 0.79911 0.86545 1.00000
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