TbH7C2
Alexandria ALEXAlex-ID: agm006201608 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_812_spg8
TbH3 H4C C
2024-02-01 09:58:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201608).
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 agm006201608
data_agm006201608
_cell_length_a 11.75612
_cell_length_b 11.77516
_cell_length_c 9.96182
_cell_angle_alpha 164.34555
_cell_angle_beta 17.91610
_cell_angle_gamma 161.08777
_cell_volume 106.83652
_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 0.93407 0.02422 0.44741 1.00000
H2 H 0.12139 0.60515 0.38474 1.00000
H3 H 0.60612 0.35210 0.64658 1.00000
H4 H 0.99813 0.26476 0.48521 1.00000
H5 H 0.37297 0.08394 0.92881 1.00000
H6 H 0.30987 0.57983 0.62643 1.00000
H7 H 0.86159 0.06040 0.11020 1.00000
C1 C 0.15365 0.23844 0.37261 1.00000
C2 C 0.88732 0.28685 0.25269 1.00000
Tb1 Tb 0.98728 0.56168 0.21347 1.00000
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