BeNbPt
Alexandria ALEXAlex-ID: agm070176147 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
BeNbPt
2024-07-20 11:41:13.839373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070176147).
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 agm070176147
data_agm070176147
_cell_length_a 3.48982
_cell_length_b 6.47700
_cell_length_c 11.05336
_cell_angle_alpha 90.67329
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 249.82815
_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 0.75000 0.76487 0.07977 1.00000
Be2 Be 0.25000 0.27752 0.25068 1.00000
Be3 Be 0.25000 0.76039 0.41331 1.00000
Be4 Be 0.25000 0.23513 0.92023 1.00000
Be5 Be 0.75000 0.23961 0.58669 1.00000
Be6 Be 0.75000 0.72248 0.74932 1.00000
Nb1 Nb 0.25000 0.52891 0.61272 1.00000
Nb2 Nb 0.75000 0.97738 0.29030 1.00000
Nb3 Nb 0.25000 0.02262 0.70970 1.00000
Nb4 Nb 0.25000 0.64299 0.92411 1.00000
Nb5 Nb 0.75000 0.47109 0.38728 1.00000
Nb6 Nb 0.75000 0.35701 0.07589 1.00000
Pt1 Pt 0.75000 0.98406 0.90163 1.00000
Pt2 Pt 0.75000 0.84884 0.54382 1.00000
Pt3 Pt 0.25000 0.63571 0.20658 1.00000
Pt4 Pt 0.25000 0.15116 0.45618 1.00000
Pt5 Pt 0.75000 0.36429 0.79342 1.00000
Pt6 Pt 0.25000 0.01594 0.09837 1.00000
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