BeNiTe
Alexandria ALEXAlex-ID: agm003045671 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1401_spg1
BeNi NiTe2 BeTe
2015-04-09 18:02:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003045671).
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 agm003045671
data_agm003045671
_cell_length_a 4.15757
_cell_length_b 3.97996
_cell_length_c 6.45299
_cell_angle_alpha 100.63341
_cell_angle_beta 77.30867
_cell_angle_gamma 103.38296
_cell_volume 100.32959
_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
Be1 Be 0.29388 0.62096 0.73448 1.00000
Be2 Be 0.99061 0.04748 0.72232 1.00000
Te1 Te 0.42653 0.22559 0.96136 1.00000
Te2 Te 0.76632 0.86954 0.36814 1.00000
Ni1 Ni 0.80901 0.47306 0.62278 1.00000
Ni2 Ni 0.33631 0.26391 0.40894 1.00000
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