Y2V(H4Rh)3
Alexandria ALEXAlex-ID: agm006475352 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_102_spg166
VHRh YH3Rh YH6Rh
2024-02-26 10:36:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006475352).
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 agm006475352
data_agm006475352
_cell_length_a 5.81143
_cell_length_b 5.81143
_cell_length_c 6.04400
_cell_angle_alpha 62.81713
_cell_angle_beta 62.81713
_cell_angle_gamma 58.21563
_cell_volume 147.90388
_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 0.61260 0.61260 0.64616 1.00000
Y2 Y 0.38740 0.38740 0.35384 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
H1 H 0.21808 0.21808 0.85777 1.00000
H2 H 0.88113 0.88113 0.36415 1.00000
H3 H 0.38433 0.78284 0.99441 1.00000
H4 H 0.85030 0.35771 0.33207 1.00000
H5 H 0.78284 0.38433 0.99441 1.00000
H6 H 0.35771 0.85030 0.33207 1.00000
H7 H 0.78192 0.78192 0.14223 1.00000
H8 H 0.11887 0.11887 0.63585 1.00000
H9 H 0.61567 0.21716 0.00559 1.00000
H10 H 0.14970 0.64229 0.66793 1.00000
H11 H 0.21716 0.61567 0.00559 1.00000
H12 H 0.64229 0.14970 0.66793 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
Rh2 Rh 0.00000 0.50000 0.00000 1.00000
Rh3 Rh 0.00000 0.00000 0.50000 1.00000
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