YBe4GaIr2
Alexandria ALEXAlex-ID: agm004792508 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
Be3Ir Be5Ir YGaIr
2022-07-17 22:42:12.489947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792508).
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 agm004792508
data_agm004792508
_cell_length_a 3.93780
_cell_length_b 3.93780
_cell_length_c 8.39026
_cell_angle_alpha 76.42811
_cell_angle_beta 76.42811
_cell_angle_gamma 60.00000
_cell_volume 108.45631
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.40622 0.40622 0.78133 1.00000
Be2 Be 0.87813 0.87813 0.36562 1.00000
Be3 Be 0.12187 0.12187 0.63438 1.00000
Be4 Be 0.59378 0.59378 0.21867 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.76957 0.76957 0.69128 1.00000
Ir2 Ir 0.23043 0.23043 0.30872 1.00000
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