InTcH4
Alexandria ALEXAlex-ID: agm007369722 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1744_spg12
InH10 Tc4H3 InH2
2024-02-09 00:48:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007369722).
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 agm007369722
data_agm007369722
_cell_length_a 4.42317
_cell_length_b 4.39877
_cell_length_c 6.55519
_cell_angle_alpha 93.26069
_cell_angle_beta 89.73516
_cell_angle_gamma 92.56833
_cell_volume 127.20641
_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
In1 In 0.51129 0.55741 0.79540 1.00000
In2 In 0.48871 0.44259 0.20460 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.50000 0.50000 1.00000
H1 H 0.18511 0.19214 0.61319 1.00000
H2 H 0.17157 0.82222 0.37825 1.00000
H3 H 0.81489 0.80786 0.38681 1.00000
H4 H 0.82843 0.17778 0.62175 1.00000
H5 H 0.00702 0.59141 0.76665 1.00000
H6 H 0.51640 0.99479 0.23122 1.00000
H7 H 0.99298 0.40859 0.23335 1.00000
H8 H 0.48360 0.00521 0.76878 1.00000
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