PrB14Mo
Alexandria ALEXAlex-ID: agm005754394 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PrB6 B2Mo B
2023-07-18 14:04:06.284385
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754394).
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 agm005754394
data_agm005754394
_cell_length_a 5.88660
_cell_length_b 7.50003
_cell_length_c 7.50003
_cell_angle_alpha 67.04941
_cell_angle_beta 66.89368
_cell_angle_gamma 66.89368
_cell_volume 269.01406
_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
Pr1 Pr 0.25000 0.37624 0.12376 1.00000
Pr2 Pr 0.75000 0.62376 0.87624 1.00000
B1 B 0.66695 0.36318 0.30292 1.00000
B2 B 0.33305 0.63682 0.69708 1.00000
B3 B 0.16695 0.80292 0.86318 1.00000
B4 B 0.83305 0.19708 0.13682 1.00000
B5 B 0.11784 0.25089 0.51342 1.00000
B6 B 0.88216 0.74911 0.48658 1.00000
B7 B 0.61784 0.01342 0.75089 1.00000
B8 B 0.38216 0.98658 0.24911 1.00000
B9 B 0.08082 0.08834 0.75001 1.00000
B10 B 0.91918 0.91166 0.24999 1.00000
B11 B 0.58082 0.25001 0.58834 1.00000
B12 B 0.41918 0.74999 0.41166 1.00000
B13 B 0.72284 0.59828 0.27705 1.00000
B14 B 0.59816 0.40172 0.72295 1.00000
B15 B 0.22284 0.77705 0.09828 1.00000
B16 B 0.09816 0.22295 0.90172 1.00000
B17 B 0.27716 0.40172 0.72295 1.00000
B18 B 0.40184 0.59828 0.27705 1.00000
B19 B 0.77716 0.22295 0.90172 1.00000
B20 B 0.90184 0.77705 0.09828 1.00000
B21 B 0.32288 0.97311 0.87420 1.00000
B22 B 0.17018 0.02689 0.12580 1.00000
B23 B 0.82288 0.37420 0.47311 1.00000
B24 B 0.67018 0.62580 0.52689 1.00000
B25 B 0.67712 0.02689 0.12580 1.00000
B26 B 0.82982 0.97311 0.87420 1.00000
B27 B 0.17712 0.62580 0.52689 1.00000
B28 B 0.32982 0.37420 0.47311 1.00000
Mo1 Mo 0.50000 0.00000 0.50000 1.00000
Mo2 Mo 0.00000 0.00000 0.50000 1.00000
