TmH6C
Alexandria ALEXAlex-ID: agm079285482 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_274_spg12
TmH3 H4C C
2025-06-27 10:23:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079285482).
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 agm079285482
data_agm079285482
_cell_length_a 7.61873
_cell_length_b 8.47000
_cell_length_c 3.47190
_cell_angle_alpha 78.20636
_cell_angle_beta 89.95839
_cell_angle_gamma 155.60375
_cell_volume 80.33188
_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
Tm1 Tm 0.62536 0.96972 0.02306 1.00000
H1 H 0.09057 0.31431 0.35095 1.00000
H2 H 0.86591 0.68436 0.99400 1.00000
H3 H 0.16036 0.62516 0.69599 1.00000
H4 H 0.30934 0.03913 0.18597 1.00000
H5 H 0.38447 0.25251 0.71037 1.00000
H6 H 0.93922 0.89663 0.25618 1.00000
C1 C 0.12478 0.96817 0.03348 1.00000
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