Tb2V5H2
Alexandria ALEXAlex-ID: agm007178503 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1918_spg12
Tb V TbH2
2025-04-29 23:03:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007178503).
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 agm007178503
data_agm007178503
_cell_length_a 4.84820
_cell_length_b 5.01977
_cell_length_c 6.58282
_cell_angle_alpha 78.10409
_cell_angle_beta 88.42386
_cell_angle_gamma 118.74606
_cell_volume 135.93938
_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 0.30144 0.60278 0.17457 1.00000
Tb2 Tb 0.69856 0.39722 0.82543 1.00000
V1 V 0.93426 0.86808 0.38161 1.00000
V2 V 0.06574 0.13192 0.61839 1.00000
V3 V 0.39437 0.80956 0.63188 1.00000
V4 V 0.60563 0.19044 0.36812 1.00000
V5 V 0.00000 0.00000 0.00000 1.00000
H1 H 0.68073 0.88915 0.83458 1.00000
H2 H 0.31927 0.11085 0.16542 1.00000
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