Ba2H4Pt
Alexandria ALEXAlex-ID: agm006434278 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_786_spg1
Ba2H6Pt BaH2 BaPt
2024-02-27 15:42:46.064602
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006434278).
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 agm006434278
data_agm006434278
_cell_length_a 5.76448
_cell_length_b 5.82775
_cell_length_c 7.93902
_cell_angle_alpha 89.30166
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 266.68313
_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 0.25000 0.75784 0.00023 1.00000
Ba2 Ba 0.75000 0.24216 0.99977 1.00000
Ba3 Ba 0.75000 0.24332 0.49569 1.00000
Ba4 Ba 0.25000 0.75668 0.50431 1.00000
H1 H 0.48247 0.02416 0.25086 1.00000
H2 H 0.25000 0.27528 0.03822 1.00000
H3 H 0.75000 0.72472 0.96178 1.00000
H4 H 0.01753 0.02416 0.25086 1.00000
H5 H 0.75000 0.72419 0.54124 1.00000
H6 H 0.98247 0.97584 0.74914 1.00000
H7 H 0.51753 0.97584 0.74914 1.00000
H8 H 0.25000 0.27581 0.45876 1.00000
Pt1 Pt 0.25000 0.23577 0.24896 1.00000
Pt2 Pt 0.75000 0.76423 0.75104 1.00000
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