Th(CuH3)2
Alexandria ALEXAlex-ID: agm079087345 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_336_spg12
CuH4 Th4H15 Cu
2025-05-27 01:32:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079087345).
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 agm079087345
data_agm079087345
_cell_length_a 4.47931
_cell_length_b 4.46701
_cell_length_c 4.44455
_cell_angle_alpha 89.99630
_cell_angle_beta 90.00462
_cell_angle_gamma 120.09581
_cell_volume 76.94236
_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 0.28410 0.66665 0.50007 1.00000
Cu1 Cu 0.99791 0.99318 0.00037 1.00000
Cu2 Cu 0.67129 0.34017 0.99993 1.00000
H1 H 0.78389 0.66683 0.72731 1.00000
H2 H 0.36014 0.93706 0.99989 1.00000
H3 H 0.08953 0.39613 0.00004 1.00000
H4 H 0.25780 0.15278 0.49910 1.00000
H5 H 0.77155 0.18059 0.50032 1.00000
H6 H 0.78380 0.66661 0.27295 1.00000
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