Y4In2H
Alexandria ALEXAlex-ID: agm003446643 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1015_spg11
Y2InH2 Y2In
2022-02-17 17:53:55.554719
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003446643).
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 agm003446643
data_agm003446643
_cell_length_a 6.07253
_cell_length_b 6.77209
_cell_length_c 9.43993
_cell_angle_alpha 90.00000
_cell_angle_beta 112.84198
_cell_angle_gamma 90.00000
_cell_volume 357.76127
_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
Y1 Y 0.53703 0.49890 0.26768 1.00000
Y2 Y 0.11033 0.75000 0.93184 1.00000
Y3 Y 0.88967 0.25000 0.06816 1.00000
Y4 Y 0.53703 0.00110 0.26768 1.00000
Y5 Y 0.89851 0.25000 0.62658 1.00000
Y6 Y 0.46297 0.99890 0.73232 1.00000
Y7 Y 0.46297 0.50110 0.73232 1.00000
Y8 Y 0.10149 0.75000 0.37342 1.00000
In1 In 0.69389 0.75000 0.04191 1.00000
In2 In 0.30611 0.25000 0.95809 1.00000
In3 In 0.20918 0.25000 0.42071 1.00000
In4 In 0.79082 0.75000 0.57929 1.00000
H1 H 0.27688 0.75000 0.19994 1.00000
H2 H 0.72312 0.25000 0.80006 1.00000
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