ThZn2H8Pt
Alexandria ALEXAlex-ID: agm007234863 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
Zn2Pt Th4H15 H2
2024-03-16 07:10:19.823943
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007234863).
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 agm007234863
data_agm007234863
_cell_length_a 4.72546
_cell_length_b 4.60205
_cell_length_c 6.28981
_cell_angle_alpha 101.90310
_cell_angle_beta 116.03814
_cell_angle_gamma 94.26803
_cell_volume 118.12157
_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
Th1 Th 0.50000 0.50000 0.00000 1.00000
Zn1 Zn 0.22927 0.64390 0.47368 1.00000
Zn2 Zn 0.77073 0.35610 0.52632 1.00000
H1 H 0.97279 0.63356 0.86132 1.00000
H2 H 0.57002 0.91946 0.82523 1.00000
H3 H 0.98114 0.88757 0.24152 1.00000
H4 H 0.02721 0.36644 0.13868 1.00000
H5 H 0.42998 0.08054 0.17477 1.00000
H6 H 0.01886 0.11243 0.75848 1.00000
H7 H 0.53790 0.67114 0.38499 1.00000
H8 H 0.46210 0.32886 0.61501 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Get direct link