Ba2HPt10
Alexandria ALEXAlex-ID: agm006375835 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C10_70_spg156
BaPt5 BaH6Pt Pt
2025-03-11 07:17:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006375835).
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 agm006375835
data_agm006375835
_cell_length_a 5.69363
_cell_length_b 5.69363
_cell_length_c 8.74244
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 245.43772
_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
Ba1 Ba 0.00000 0.00000 0.00231 1.00000
Ba2 Ba 0.00000 0.00000 0.49751 1.00000
H1 H 0.66667 0.33333 0.80768 1.00000
Pt1 Pt 0.66667 0.33333 0.01124 1.00000
Pt2 Pt 0.33333 0.66667 0.00378 1.00000
Pt3 Pt 0.49287 0.50713 0.74613 1.00000
Pt4 Pt 0.01426 0.50713 0.74613 1.00000
Pt5 Pt 0.49287 0.98574 0.74613 1.00000
Pt6 Pt 0.66667 0.33333 0.49944 1.00000
Pt7 Pt 0.33333 0.66667 0.49654 1.00000
Pt8 Pt 0.49927 0.50073 0.25282 1.00000
Pt9 Pt 0.00145 0.50073 0.25282 1.00000
Pt10 Pt 0.49927 0.99855 0.25282 1.00000
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