ErGa2(SnIr)4
Alexandria ALEXAlex-ID: agm020109145 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D4_20_spg121
ErGa2(SnIr)4
2024-12-10 19:37:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020109145).
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
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# CIF generated by HEAS from Alexandria entry agm020109145
data_agm020109145
_cell_length_a 6.87105
_cell_length_b 6.87105
_cell_length_c 6.87105
_cell_angle_alpha 121.28235
_cell_angle_beta 121.28235
_cell_angle_gamma 87.79289
_cell_volume 224.75202
_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 0.50000 0.00000 1.00000
Ga1 Ga 0.50000 0.00000 0.50000 1.00000
Ga2 Ga 0.00000 0.50000 0.50000 1.00000
Sn1 Sn 0.03043 0.03043 0.65536 1.00000
Sn2 Sn 0.37507 0.37507 0.34464 1.00000
Sn3 Sn 0.96957 0.62493 0.00000 1.00000
Sn4 Sn 0.62493 0.96957 0.00000 1.00000
Ir1 Ir 0.88349 0.26057 0.00000 1.00000
Ir2 Ir 0.26057 0.88349 0.00000 1.00000
Ir3 Ir 0.11651 0.11651 0.37708 1.00000
Ir4 Ir 0.73943 0.73943 0.62292 1.00000
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