ThAl(H2Pt)2
Alexandria ALEXAlex-ID: agm007127262 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_38_spg8
Th4H15 Th(HPt)3 H2 AlPt
2024-03-05 10:38:05.470669
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007127262).
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 agm007127262
data_agm007127262
_cell_length_a 4.29052
_cell_length_b 4.66876
_cell_length_c 5.17094
_cell_angle_alpha 90.26877
_cell_angle_beta 87.63331
_cell_angle_gamma 81.73596
_cell_volume 102.41235
_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 0.46958 0.51362 0.43621 1.00000
Al1 Al 0.90576 0.00677 0.75964 1.00000
H1 H 0.34280 0.22311 0.82170 1.00000
H2 H 0.02179 0.31898 0.26083 1.00000
H3 H 0.70707 0.74505 0.03663 1.00000
H4 H 0.27784 0.74392 0.85002 1.00000
Pt1 Pt 0.04257 0.47383 0.93619 1.00000
Pt2 Pt 0.84553 0.97473 0.28582 1.00000
Get direct link