TbU2(ZnH4)3
Alexandria ALEXAlex-ID: agm006516655 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_495_spg1
U4H15 TbH3 Zn ZnH2
2025-05-26 18:43:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006516655).
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 agm006516655
data_agm006516655
_cell_length_a 6.12562
_cell_length_b 6.18766
_cell_length_c 5.99514
_cell_angle_alpha 58.69836
_cell_angle_beta 67.84252
_cell_angle_gamma 62.47241
_cell_volume 169.33969
_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
Tb1 Tb 0.99952 0.99460 0.96349 1.00000
U1 U 0.63384 0.60124 0.14454 1.00000
U2 U 0.34262 0.36591 0.89410 1.00000
Zn1 Zn 0.11825 0.92914 0.45416 1.00000
Zn2 Zn 0.87304 0.57143 0.53500 1.00000
Zn3 Zn 0.49837 0.97780 0.49904 1.00000
H1 H 0.72170 0.33014 0.58033 1.00000
H2 H 0.30137 0.95487 0.11433 1.00000
H3 H 0.98189 0.73008 0.81333 1.00000
H4 H 0.49293 0.99964 0.77807 1.00000
H5 H 0.11897 0.33430 0.69023 1.00000
H6 H 0.33227 0.65002 0.00531 1.00000
H7 H 0.32847 0.57083 0.47516 1.00000
H8 H 0.68440 0.38611 0.92104 1.00000
H9 H 0.98420 0.25812 0.13293 1.00000
H10 H 0.64049 0.99108 0.02959 1.00000
H11 H 0.99483 0.55984 0.20714 1.00000
H12 H 0.45284 0.29484 0.26222 1.00000
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