TiH8Os4Pd
Alexandria ALEXAlex-ID: agm006972183 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_392_spg1
H4Pd TiH2 Os H2
2024-03-16 06:48:19.469555
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006972183).
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
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# CIF generated by HEAS from Alexandria entry agm006972183
data_agm006972183
_cell_length_a 5.44779
_cell_length_b 5.51208
_cell_length_c 5.64030
_cell_angle_alpha 57.49235
_cell_angle_beta 60.37411
_cell_angle_gamma 67.06069
_cell_volume 122.36941
_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
Ti1 Ti 0.62181 0.98324 0.50147 1.00000
H1 H 0.63264 0.43510 0.25504 1.00000
H2 H 0.21831 0.34270 0.74185 1.00000
H3 H 0.67729 0.32734 0.74279 1.00000
H4 H 0.80772 0.88496 0.80377 1.00000
H5 H 0.31906 0.69016 0.68114 1.00000
H6 H 0.77416 0.65678 0.29542 1.00000
H7 H 0.27452 0.71688 0.31880 1.00000
H8 H 0.47930 0.05318 0.15973 1.00000
Os1 Os 0.11556 0.00038 0.46552 1.00000
Os2 Os 0.99159 0.50635 0.50927 1.00000
Os3 Os 0.48337 0.40713 0.05690 1.00000
Os4 Os 0.98185 0.51505 0.00534 1.00000
Pd1 Pd 0.12281 0.98077 0.96296 1.00000
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