PrB14W
Alexandria ALEXAlex-ID: agm005754222 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PrB6 B2W B
2023-07-18 14:04:34.547525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754222).
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 agm005754222
data_agm005754222
_cell_length_a 5.87578
_cell_length_b 7.50637
_cell_length_c 7.50637
_cell_angle_alpha 66.94481
_cell_angle_beta 66.95921
_cell_angle_gamma 66.95922
_cell_volume 269.01679
_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 0.37543 0.12457 1.00000
Pr2 Pr 0.75000 0.62457 0.87543 1.00000
B1 B 0.66722 0.36400 0.30156 1.00000
B2 B 0.33278 0.63600 0.69844 1.00000
B3 B 0.16722 0.80156 0.86400 1.00000
B4 B 0.83278 0.19844 0.13600 1.00000
B5 B 0.11732 0.25133 0.51402 1.00000
B6 B 0.88268 0.74867 0.48598 1.00000
B7 B 0.61732 0.01402 0.75133 1.00000
B8 B 0.38268 0.98598 0.24867 1.00000
B9 B 0.08077 0.08828 0.75017 1.00000
B10 B 0.91923 0.91172 0.24983 1.00000
B11 B 0.58077 0.25017 0.58828 1.00000
B12 B 0.41923 0.74983 0.41172 1.00000
B13 B 0.72367 0.59813 0.27656 1.00000
B14 B 0.59836 0.40187 0.72344 1.00000
B15 B 0.22367 0.77656 0.09813 1.00000
B16 B 0.09836 0.22344 0.90187 1.00000
B17 B 0.27633 0.40187 0.72344 1.00000
B18 B 0.40164 0.59813 0.27656 1.00000
B19 B 0.77633 0.22344 0.90187 1.00000
B20 B 0.90164 0.77656 0.09813 1.00000
B21 B 0.32319 0.97312 0.87370 1.00000
B22 B 0.17001 0.02688 0.12630 1.00000
B23 B 0.82319 0.37370 0.47312 1.00000
B24 B 0.67001 0.62630 0.52688 1.00000
B25 B 0.67681 0.02688 0.12630 1.00000
B26 B 0.82999 0.97312 0.87370 1.00000
B27 B 0.17681 0.62630 0.52688 1.00000
B28 B 0.32999 0.37370 0.47312 1.00000
W1 W 0.50000 0.00000 0.50000 1.00000
W2 W 0.00000 0.00000 0.50000 1.00000
