Be2CuNi2
Alexandria ALEXAlex-ID: agm002961237 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_3_spg127
Cu BeNi
2016-12-23 12:39:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002961237).
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 agm002961237
data_agm002961237
_cell_length_a 6.14492
_cell_length_b 6.14492
_cell_length_c 2.56287
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 96.77428
_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
Ni1 Ni 0.16320 0.66320 0.50000 1.00000
Ni2 Ni 0.66320 0.83680 0.50000 1.00000
Ni3 Ni 0.83680 0.33680 0.50000 1.00000
Ni4 Ni 0.33680 0.16320 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.50000 0.50000 0.00000 1.00000
Be1 Be 0.36984 0.86984 0.00000 1.00000
Be2 Be 0.86984 0.63016 0.00000 1.00000
Be3 Be 0.63016 0.13016 0.00000 1.00000
Be4 Be 0.13016 0.36984 0.00000 1.00000
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