Ga2TcH7
Alexandria ALEXAlex-ID: agm006201064 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_856_spg1
Ga2TcH5 H2
2024-01-01 04:37:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201064).
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 agm006201064
data_agm006201064
_cell_length_a 4.73736
_cell_length_b 6.25487
_cell_length_c 5.51788
_cell_angle_alpha 120.71941
_cell_angle_beta 57.65130
_cell_angle_gamma 130.47236
_cell_volume 101.61863
_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 0.02955 0.71958 0.30612 1.00000
H2 H 0.01998 0.12684 0.81960 1.00000
H3 H 0.36386 0.47023 0.68386 1.00000
H4 H 0.92939 0.34952 0.28031 1.00000
H5 H 0.53892 0.85794 0.48744 1.00000
H6 H 0.49244 0.25544 0.17768 1.00000
H7 H 0.83656 0.35048 0.73288 1.00000
Tc1 Tc 0.99289 0.44127 0.00388 1.00000
Ga1 Ga 0.49560 0.89467 0.83334 1.00000
Ga2 Ga 0.53321 0.59141 0.14306 1.00000
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