Th4In3H4
Alexandria ALEXAlex-ID: agm006366239 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_30_spg2
ThInH Th8In4H11 Th3In
2024-07-09 18:05:26.844509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006366239).
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 agm006366239
data_agm006366239
_cell_length_a 8.01230
_cell_length_b 8.01230
_cell_length_c 8.01230
_cell_angle_alpha 144.85278
_cell_angle_beta 129.39269
_cell_angle_gamma 63.10817
_cell_volume 226.25815
_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
Th1 Th 0.77184 0.27184 0.50000 1.00000
Th2 Th 0.22816 0.72816 0.50000 1.00000
Th3 Th 0.26937 0.00000 0.26937 1.00000
Th4 Th 0.73063 0.00000 0.73063 1.00000
In1 In 0.38626 0.38626 0.00000 1.00000
In2 In 0.61374 0.61374 0.00000 1.00000
In3 In 0.00000 0.50000 0.50000 1.00000
H1 H 0.99531 0.18523 0.81009 1.00000
H2 H 0.62486 0.81477 0.81009 1.00000
H3 H 0.00469 0.81477 0.18991 1.00000
H4 H 0.37514 0.18523 0.18991 1.00000
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