Na2GaB2Pt5
Alexandria ALEXAlex-ID: agm005131663 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_6_spg127
NaBPt3 Na2BPt2 Na(GaPt)2 Na3B5Pt9
2022-07-14 13:40:53.502659
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005131663).
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 agm005131663
data_agm005131663
_cell_length_a 3.03473
_cell_length_b 9.70461
_cell_length_c 9.70461
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 285.80954
_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
Na1 Na 0.00000 0.67621 0.17621 1.00000
Na2 Na 0.00000 0.32379 0.82379 1.00000
Na3 Na 0.00000 0.17621 0.32379 1.00000
Na4 Na 0.00000 0.82379 0.67621 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.50000 1.00000
B1 B 0.00000 0.12455 0.62455 1.00000
B2 B 0.00000 0.87545 0.37545 1.00000
B3 B 0.00000 0.62455 0.87545 1.00000
B4 B 0.00000 0.37545 0.12455 1.00000
Pt1 Pt 0.50000 0.21883 0.06989 1.00000
Pt2 Pt 0.50000 0.78117 0.93011 1.00000
Pt3 Pt 0.50000 0.06989 0.78117 1.00000
Pt4 Pt 0.50000 0.71883 0.43011 1.00000
Pt5 Pt 0.50000 0.93011 0.21883 1.00000
Pt6 Pt 0.50000 0.28117 0.56989 1.00000
Pt7 Pt 0.50000 0.56989 0.71883 1.00000
Pt8 Pt 0.50000 0.43011 0.28117 1.00000
Pt9 Pt 0.50000 0.50000 0.00000 1.00000
Pt10 Pt 0.50000 0.00000 0.50000 1.00000
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