NiB2Pt3
Alexandria ALEXAlex-ID: agm005688181 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1636_spg12
NiBPt BPt2
2023-08-07 05:31:05.152254
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688181).
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 agm005688181
data_agm005688181
_cell_length_a 3.45397
_cell_length_b 6.32824
_cell_length_c 8.02484
_cell_angle_alpha 62.20294
_cell_angle_beta 77.57245
_cell_angle_gamma 74.16300
_cell_volume 148.47406
_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 0.43520 0.46095 0.66865 1.00000
Ni2 Ni 0.56480 0.53905 0.33135 1.00000
B1 B 0.86209 0.44095 0.83488 1.00000
B2 B 0.13791 0.55905 0.16512 1.00000
B3 B 0.61384 0.17801 0.59432 1.00000
B4 B 0.38616 0.82199 0.40568 1.00000
Pt1 Pt 0.05064 0.10365 0.79507 1.00000
Pt2 Pt 0.94936 0.89635 0.20493 1.00000
Pt3 Pt 0.66814 0.69594 0.96778 1.00000
Pt4 Pt 0.33186 0.30406 0.03222 1.00000
Pt5 Pt 0.80344 0.80709 0.58603 1.00000
Pt6 Pt 0.19656 0.19291 0.41397 1.00000
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