Y4B14Rh
Alexandria ALEXAlex-ID: agm008243647 · Space group: P4/mnc (#128)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C14_2_spg128
YB4 YBRh3 YRh
2024-11-01 13:01:52.388585
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008243647).
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 agm008243647
data_agm008243647
_cell_length_a 7.26387
_cell_length_b 7.26387
_cell_length_c 7.70171
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 406.37112
_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 0.69216 0.83442 0.00000 1.00000
Y2 Y 0.16558 0.69216 0.00000 1.00000
Y3 Y 0.83442 0.30784 0.00000 1.00000
Y4 Y 0.19216 0.66558 0.50000 1.00000
Y5 Y 0.80784 0.33442 0.50000 1.00000
Y6 Y 0.30784 0.16558 0.00000 1.00000
Y7 Y 0.33442 0.19216 0.50000 1.00000
Y8 Y 0.66558 0.80784 0.50000 1.00000
B1 B 0.67571 0.53919 0.23870 1.00000
B2 B 0.46081 0.67571 0.23870 1.00000
B3 B 0.53919 0.32429 0.23870 1.00000
B4 B 0.17571 0.96081 0.26130 1.00000
B5 B 0.82429 0.03919 0.26130 1.00000
B6 B 0.32429 0.46081 0.23870 1.00000
B7 B 0.03919 0.17571 0.26130 1.00000
B8 B 0.96081 0.82429 0.26130 1.00000
B9 B 0.32429 0.46081 0.76130 1.00000
B10 B 0.53919 0.32429 0.76130 1.00000
B11 B 0.46081 0.67571 0.76130 1.00000
B12 B 0.82429 0.03919 0.73870 1.00000
B13 B 0.17571 0.96081 0.73870 1.00000
B14 B 0.67571 0.53919 0.76130 1.00000
B15 B 0.96081 0.82429 0.73870 1.00000
B16 B 0.03919 0.17571 0.73870 1.00000
B17 B 0.58796 0.08796 0.25000 1.00000
B18 B 0.91204 0.58796 0.25000 1.00000
B19 B 0.08796 0.41204 0.25000 1.00000
B20 B 0.41204 0.91204 0.25000 1.00000
B21 B 0.41204 0.91204 0.75000 1.00000
B22 B 0.08796 0.41204 0.75000 1.00000
B23 B 0.91204 0.58796 0.75000 1.00000
B24 B 0.58796 0.08796 0.75000 1.00000
B25 B 0.50000 0.50000 0.39040 1.00000
B26 B 0.00000 0.00000 0.10960 1.00000
B27 B 0.50000 0.50000 0.60960 1.00000
B28 B 0.00000 0.00000 0.89040 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.00000 0.00000 0.50000 1.00000
