DyCrB14
Alexandria ALEXAlex-ID: agm005755646 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
DyB12 CrB4 DyB4
2023-07-18 13:55:25.842096
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755646).
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 agm005755646
data_agm005755646
_cell_length_a 5.84987
_cell_length_b 7.34434
_cell_length_c 7.34434
_cell_angle_alpha 67.86500
_cell_angle_beta 66.53074
_cell_angle_gamma 66.53075
_cell_volume 256.40943
_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
Dy1 Dy 0.25000 0.37809 0.12191 1.00000
Dy2 Dy 0.75000 0.62191 0.87809 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66725 0.36391 0.30159 1.00000
B2 B 0.33275 0.63609 0.69841 1.00000
B3 B 0.16725 0.80159 0.86391 1.00000
B4 B 0.83275 0.19841 0.13609 1.00000
B5 B 0.12881 0.24084 0.50155 1.00000
B6 B 0.87119 0.75916 0.49845 1.00000
B7 B 0.62881 0.00155 0.74084 1.00000
B8 B 0.37119 0.99845 0.25916 1.00000
B9 B 0.08396 0.08686 0.74522 1.00000
B10 B 0.91604 0.91314 0.25478 1.00000
B11 B 0.58396 0.24522 0.58686 1.00000
B12 B 0.41604 0.75478 0.41314 1.00000
B13 B 0.72328 0.59821 0.27518 1.00000
B14 B 0.59666 0.40179 0.72482 1.00000
B15 B 0.22328 0.77518 0.09821 1.00000
B16 B 0.09666 0.22482 0.90179 1.00000
B17 B 0.27672 0.40179 0.72482 1.00000
B18 B 0.40334 0.59821 0.27518 1.00000
B19 B 0.77672 0.22482 0.90179 1.00000
B20 B 0.90334 0.77518 0.09821 1.00000
B21 B 0.32655 0.96977 0.87336 1.00000
B22 B 0.16968 0.03023 0.12664 1.00000
B23 B 0.82655 0.37336 0.46977 1.00000
B24 B 0.66968 0.62664 0.53023 1.00000
B25 B 0.67345 0.03023 0.12664 1.00000
B26 B 0.83032 0.96977 0.87336 1.00000
B27 B 0.17345 0.62664 0.53023 1.00000
B28 B 0.33032 0.37336 0.46977 1.00000
