TbCoH4
Alexandria ALEXAlex-ID: agm003746909 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1702_spg63
TbCoH4
2022-04-18 13:28:00.467819
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003746909).
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 agm003746909
data_agm003746909
_cell_length_a 4.53933
_cell_length_b 6.34471
_cell_length_c 5.47390
_cell_angle_alpha 106.44077
_cell_angle_beta 90.01060
_cell_angle_gamma 135.65402
_cell_volume 100.75073
_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 0.38836 0.63836 0.27673 1.00000
Tb2 Tb 0.61164 0.36164 0.72327 1.00000
Co1 Co 0.31586 0.06586 0.13172 1.00000
Co2 Co 0.68414 0.93414 0.86828 1.00000
H1 H 0.86406 0.11445 0.66884 1.00000
H2 H 0.00195 0.91283 0.82387 1.00000
H3 H 0.30478 0.55438 0.66884 1.00000
H4 H 0.32192 0.91105 0.82387 1.00000
H5 H 0.67808 0.08895 0.17613 1.00000
H6 H 0.69522 0.44562 0.33116 1.00000
H7 H 0.99805 0.08717 0.17613 1.00000
H8 H 0.13594 0.88555 0.33116 1.00000
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