Y5(HC)2
Alexandria ALEXAlex-ID: agm006399596 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_198_spg46
YH2 Y2C
2024-02-26 18:36:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006399596).
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 agm006399596
data_agm006399596
_cell_length_a 8.56111
_cell_length_b 8.56111
_cell_length_c 6.96525
_cell_angle_alpha 74.78610
_cell_angle_beta 74.78610
_cell_angle_gamma 41.73597
_cell_volume 326.16238
_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 0.62836 0.78549 0.33981 1.00000
Y2 Y 0.22173 0.38610 0.11555 1.00000
Y3 Y 0.78549 0.62836 0.83981 1.00000
Y4 Y 0.38610 0.22173 0.61555 1.00000
Y5 Y 0.82048 0.98102 0.94201 1.00000
Y6 Y 0.02883 0.18402 0.52129 1.00000
Y7 Y 0.98102 0.82048 0.44201 1.00000
Y8 Y 0.18402 0.02883 0.02129 1.00000
Y9 Y 0.60335 0.40891 0.22431 1.00000
Y10 Y 0.40891 0.60335 0.72431 1.00000
H1 H 0.50476 0.00182 0.98459 1.00000
H2 H 0.00182 0.50476 0.48459 1.00000
H3 H 0.71529 0.20678 0.58038 1.00000
H4 H 0.20678 0.71529 0.08038 1.00000
C1 C 0.60933 0.10441 0.27859 1.00000
C2 C 0.39399 0.91533 0.67747 1.00000
C3 C 0.10441 0.60933 0.77859 1.00000
C4 C 0.91533 0.39399 0.17747 1.00000
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