AcB14W
Alexandria ALEXAlex-ID: agm005754237 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
B2W AcB6 B
2023-07-18 14:10:28.151484
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754237).
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 agm005754237
data_agm005754237
_cell_length_a 5.90074
_cell_length_b 7.58281
_cell_length_c 7.58281
_cell_angle_alpha 67.23573
_cell_angle_beta 67.10230
_cell_angle_gamma 67.10231
_cell_volume 276.60837
_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
Ac1 Ac 0.25000 0.37749 0.12251 1.00000
Ac2 Ac 0.75000 0.62251 0.87749 1.00000
B1 B 0.66632 0.36219 0.30517 1.00000
B2 B 0.33368 0.63780 0.69483 1.00000
B3 B 0.16632 0.80517 0.86220 1.00000
B4 B 0.83368 0.19483 0.13781 1.00000
B5 B 0.11635 0.24897 0.51832 1.00000
B6 B 0.88365 0.75103 0.48168 1.00000
B7 B 0.61635 0.01832 0.74897 1.00000
B8 B 0.38365 0.98168 0.25103 1.00000
B9 B 0.08024 0.08769 0.75182 1.00000
B10 B 0.91976 0.91231 0.24818 1.00000
B11 B 0.58024 0.25182 0.58769 1.00000
B12 B 0.41976 0.74818 0.41231 1.00000
B13 B 0.72123 0.59865 0.28132 1.00000
B14 B 0.60119 0.40135 0.71868 1.00000
B15 B 0.22123 0.78132 0.09865 1.00000
B16 B 0.10119 0.21868 0.90135 1.00000
B17 B 0.27877 0.40135 0.71868 1.00000
B18 B 0.39881 0.59865 0.28132 1.00000
B19 B 0.77877 0.21868 0.90135 1.00000
B20 B 0.89881 0.78132 0.09865 1.00000
B21 B 0.32259 0.97593 0.87279 1.00000
B22 B 0.17131 0.02407 0.12721 1.00000
B23 B 0.82259 0.37279 0.47593 1.00000
B24 B 0.67131 0.62721 0.52407 1.00000
B25 B 0.67741 0.02407 0.12721 1.00000
B26 B 0.82869 0.97593 0.87279 1.00000
B27 B 0.17741 0.62721 0.52407 1.00000
B28 B 0.32869 0.37279 0.47593 1.00000
W1 W 0.50000 0.00000 0.50000 1.00000
W2 W 0.00000 0.00000 0.50000 1.00000
