Y3Te2H9
Alexandria ALEXAlex-ID: agm006191817 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_552_spg8
YTeH YH3 H2
2024-02-02 13:13:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006191817).
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 agm006191817
data_agm006191817
_cell_length_a 8.28516
_cell_length_b 4.19140
_cell_length_c 5.82800
_cell_angle_alpha 90.01764
_cell_angle_beta 77.07988
_cell_angle_gamma 104.73602
_cell_volume 190.42978
_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
Te1 Te 0.35985 0.68075 0.80892 1.00000
Te2 Te 0.57694 0.28784 0.24543 1.00000
Y1 Y 0.21449 0.60798 0.35129 1.00000
Y2 Y 0.03470 0.01719 0.97500 1.00000
Y3 Y 0.82890 0.41395 0.64607 1.00000
H1 H 0.96501 0.72198 0.32185 1.00000
H2 H 0.96390 0.24081 0.32219 1.00000
H3 H 0.49939 0.98478 0.04811 1.00000
H4 H 0.05732 0.77874 0.63345 1.00000
H5 H 0.80102 0.90012 0.79636 1.00000
H6 H 0.20788 0.10458 0.21755 1.00000
H7 H 0.05746 0.27906 0.63341 1.00000
H8 H 0.93341 0.46642 0.94866 1.00000
H9 H 0.49972 0.51580 0.05170 1.00000
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