Y3Rh
Alexandria ALEXAlex-ID: agm003296512 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1741_spg82
Y3Rh
2022-01-17 20:06:16.363144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003296512).
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 agm003296512
data_agm003296512
_cell_length_a 6.16044
_cell_length_b 8.85186
_cell_length_c 8.85186
_cell_angle_alpha 83.05697
_cell_angle_beta 69.64326
_cell_angle_gamma 69.64330
_cell_volume 424.29203
_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 0.34495 0.99996 0.81045 1.00000
Y2 Y 0.15559 0.99990 0.18938 1.00000
Y3 Y 0.84446 0.81062 0.99998 1.00000
Y4 Y 0.65499 0.18955 0.00015 1.00000
Y5 Y 0.49994 0.35796 0.64210 1.00000
Y6 Y 0.50000 0.64200 0.35793 1.00000
Y7 Y 0.85795 0.64204 0.64210 1.00000
Y8 Y 0.14211 0.35783 0.35803 1.00000
Y9 Y 0.00735 0.00013 0.59424 1.00000
Y10 Y 0.60184 0.99998 0.40579 1.00000
Y11 Y 0.39822 0.59421 0.99991 1.00000
Y12 Y 0.99260 0.40576 0.99998 1.00000
Rh1 Rh 0.99995 0.29416 0.70595 1.00000
Rh2 Rh 0.00005 0.70595 0.29395 1.00000
Rh3 Rh 0.29374 0.70592 0.70588 1.00000
Rh4 Rh 0.70626 0.29402 0.29418 1.00000
Get direct link