Ba2H2Pt5
Alexandria ALEXAlex-ID: agm007253290 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_312_spg12
BaPt3 BaH4Pt
2024-03-26 00:48:17.370892
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007253290).
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 agm007253290
data_agm007253290
_cell_length_a 4.56451
_cell_length_b 4.56451
_cell_length_c 10.60367
_cell_angle_alpha 74.09374
_cell_angle_beta 74.09374
_cell_angle_gamma 61.72840
_cell_volume 184.38751
_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 0.59643 0.59643 0.27840 1.00000
Ba2 Ba 0.40357 0.40357 0.72160 1.00000
H1 H 0.08729 0.08729 0.13337 1.00000
H2 H 0.91271 0.91271 0.86663 1.00000
Pt1 Pt 0.32389 0.32389 0.04355 1.00000
Pt2 Pt 0.67611 0.67611 0.95645 1.00000
Pt3 Pt 0.16835 0.16835 0.50004 1.00000
Pt4 Pt 0.83165 0.83165 0.49996 1.00000
Pt5 Pt 0.00000 0.00000 0.00000 1.00000
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