DyB14Mo
Alexandria ALEXAlex-ID: agm005754491 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
DyB12 B2Mo
2023-07-20 23:08:49.369361
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754491).
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 agm005754491
data_agm005754491
_cell_length_a 5.87587
_cell_length_b 7.42393
_cell_length_c 7.42393
_cell_angle_alpha 66.85827
_cell_angle_beta 66.68796
_cell_angle_gamma 66.68796
_cell_volume 262.18102
_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 0.37438 0.12562 1.00000
Dy2 Dy 0.75000 0.62562 0.87438 1.00000
B1 B 0.66823 0.36190 0.30164 1.00000
B2 B 0.33177 0.63810 0.69836 1.00000
B3 B 0.16823 0.80164 0.86190 1.00000
B4 B 0.83177 0.19836 0.13810 1.00000
B5 B 0.11909 0.25364 0.50818 1.00000
B6 B 0.88091 0.74636 0.49182 1.00000
B7 B 0.61909 0.00818 0.75364 1.00000
B8 B 0.38091 0.99182 0.24636 1.00000
B9 B 0.08019 0.09165 0.74797 1.00000
B10 B 0.91981 0.90835 0.25203 1.00000
B11 B 0.58019 0.24797 0.59165 1.00000
B12 B 0.41981 0.75203 0.40835 1.00000
B13 B 0.72533 0.59671 0.27208 1.00000
B14 B 0.59412 0.40329 0.72792 1.00000
B15 B 0.22533 0.77208 0.09671 1.00000
B16 B 0.09412 0.22792 0.90329 1.00000
B17 B 0.27467 0.40329 0.72792 1.00000
B18 B 0.40588 0.59671 0.27208 1.00000
B19 B 0.77467 0.22792 0.90329 1.00000
B20 B 0.90588 0.77208 0.09671 1.00000
B21 B 0.32333 0.97059 0.87456 1.00000
B22 B 0.16848 0.02941 0.12544 1.00000
B23 B 0.82333 0.37456 0.47059 1.00000
B24 B 0.66848 0.62544 0.52941 1.00000
B25 B 0.67667 0.02941 0.12544 1.00000
B26 B 0.83152 0.97059 0.87456 1.00000
B27 B 0.17667 0.62544 0.52941 1.00000
B28 B 0.33152 0.37456 0.47059 1.00000
Mo1 Mo 0.50000 0.00000 0.50000 1.00000
Mo2 Mo 0.00000 0.00000 0.50000 1.00000
