TbVH6
Alexandria ALEXAlex-ID: agm079457592 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_7_spg12
TbH3 VH2 H2
2025-06-26 13:21:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079457592).
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 agm079457592
data_agm079457592
_cell_length_a 4.04577
_cell_length_b 3.65495
_cell_length_c 5.53166
_cell_angle_alpha 70.77481
_cell_angle_beta 63.75191
_cell_angle_gamma 63.20658
_cell_volume 64.61832
_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 0.52685 0.39876 0.55137 1.00000
V1 V 0.01827 0.90142 0.05385 1.00000
H1 H 0.51972 0.02778 0.29985 1.00000
H2 H 0.46190 0.51616 0.93641 1.00000
H3 H 0.92438 0.41822 0.11440 1.00000
H4 H 0.00351 0.72841 0.41497 1.00000
H5 H 0.46301 0.95969 0.93522 1.00000
H6 H 0.08236 0.04956 0.69392 1.00000
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