Tb2CoH7
Alexandria ALEXAlex-ID: agm006207293 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
TbCoH4 TbH3
2023-12-18 04:32:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207293).
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 agm006207293
data_agm006207293
_cell_length_a 4.60555
_cell_length_b 4.60547
_cell_length_c 7.07013
_cell_angle_alpha 109.09058
_cell_angle_beta 70.93468
_cell_angle_gamma 120.00317
_cell_volume 120.26291
_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
H1 H 0.09578 0.73961 0.13538 1.00000
H2 H 0.85077 0.97196 0.85824 1.00000
H3 H 0.35698 0.47821 0.85837 1.00000
H4 H 0.09615 0.23298 0.13488 1.00000
H5 H 0.47317 0.85554 0.49680 1.00000
H6 H 0.58948 0.23328 0.13527 1.00000
H7 H 0.85035 0.47854 0.85876 1.00000
Tb1 Tb 0.36610 0.96271 0.81864 1.00000
Tb2 Tb 0.58041 0.74879 0.17498 1.00000
Co1 Co 0.97321 0.35576 0.99684 1.00000
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