PmAlB14
Alexandria ALEXAlex-ID: agm005755463 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PmB6 Al23B50 B
2023-07-18 13:41:26.428852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755463).
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 agm005755463
data_agm005755463
_cell_length_a 5.92118
_cell_length_b 7.35274
_cell_length_c 7.35275
_cell_angle_alpha 68.95646
_cell_angle_beta 66.25601
_cell_angle_gamma 66.25600
_cell_volume 260.70103
_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
Pm1 Pm 0.25000 0.39673 0.10327 1.00000
Pm2 Pm 0.75000 0.60327 0.89673 1.00000
Al1 Al 0.50000 0.00000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
B1 B 0.66690 0.36636 0.29983 1.00000
B2 B 0.33310 0.63364 0.70017 1.00000
B3 B 0.16690 0.79983 0.86636 1.00000
B4 B 0.83310 0.20017 0.13364 1.00000
B5 B 0.13949 0.22996 0.49106 1.00000
B6 B 0.86051 0.77004 0.50894 1.00000
B7 B 0.63949 0.99106 0.72996 1.00000
B8 B 0.36051 0.00894 0.27004 1.00000
B9 B 0.08924 0.07575 0.74577 1.00000
B10 B 0.91076 0.92425 0.25423 1.00000
B11 B 0.58924 0.24577 0.57575 1.00000
B12 B 0.41076 0.75423 0.42425 1.00000
B13 B 0.72158 0.60221 0.27922 1.00000
B14 B 0.60301 0.39779 0.72078 1.00000
B15 B 0.22158 0.77922 0.10221 1.00000
B16 B 0.10301 0.22078 0.89779 1.00000
B17 B 0.27842 0.39779 0.72078 1.00000
B18 B 0.39699 0.60221 0.27922 1.00000
B19 B 0.77842 0.22078 0.89779 1.00000
B20 B 0.89699 0.77922 0.10221 1.00000
B21 B 0.32705 0.96963 0.87242 1.00000
B22 B 0.16910 0.03037 0.12758 1.00000
B23 B 0.82705 0.37242 0.46963 1.00000
B24 B 0.66910 0.62758 0.53037 1.00000
B25 B 0.67295 0.03037 0.12758 1.00000
B26 B 0.83090 0.96963 0.87242 1.00000
B27 B 0.17295 0.62758 0.53037 1.00000
B28 B 0.33090 0.37242 0.46963 1.00000
