TlGa(CuH4)2
Alexandria ALEXAlex-ID: agm007615933 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_40_spg2
TlH3 Ga4Cu9 Ga2Cu CuH4
2025-04-29 18:42:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007615933).
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 agm007615933
data_agm007615933
_cell_length_a 4.71789
_cell_length_b 5.02572
_cell_length_c 7.43857
_cell_angle_alpha 63.16692
_cell_angle_beta 85.85329
_cell_angle_gamma 62.70246
_cell_volume 137.82413
_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
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.51670 0.92138 0.18680 1.00000
Cu2 Cu 0.48330 0.07862 0.81320 1.00000
H1 H 0.72350 0.65850 0.39783 1.00000
H2 H 0.70390 0.16766 0.13430 1.00000
H3 H 0.27650 0.34150 0.60217 1.00000
H4 H 0.28911 0.72850 0.22364 1.00000
H5 H 0.71089 0.27150 0.77636 1.00000
H6 H 0.74538 0.74516 0.02442 1.00000
H7 H 0.25462 0.25484 0.97558 1.00000
H8 H 0.29610 0.83234 0.86570 1.00000
Get direct link