PmMgB14
Alexandria ALEXAlex-ID: agm005754703 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MgB7 PmB6 B
2023-07-18 13:55:47.470999
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754703).
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 agm005754703
data_agm005754703
_cell_length_a 5.93537
_cell_length_b 7.41792
_cell_length_c 7.41792
_cell_angle_alpha 68.30785
_cell_angle_beta 66.41746
_cell_angle_gamma 66.41747
_cell_volume 265.64822
_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 0.38918 0.11082 1.00000
Pm2 Pm 0.75000 0.61082 0.88918 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66632 0.36352 0.30384 1.00000
B2 B 0.33368 0.63648 0.69616 1.00000
B3 B 0.16632 0.80384 0.86352 1.00000
B4 B 0.83368 0.19616 0.13648 1.00000
B5 B 0.13229 0.23971 0.49572 1.00000
B6 B 0.86771 0.76029 0.50428 1.00000
B7 B 0.63229 0.99572 0.73971 1.00000
B8 B 0.36771 0.00428 0.26029 1.00000
B9 B 0.08316 0.08589 0.74779 1.00000
B10 B 0.91684 0.91411 0.25221 1.00000
B11 B 0.58316 0.24779 0.58589 1.00000
B12 B 0.41684 0.75221 0.41411 1.00000
B13 B 0.71968 0.60039 0.27990 1.00000
B14 B 0.59997 0.39961 0.72010 1.00000
B15 B 0.21968 0.77990 0.10039 1.00000
B16 B 0.09997 0.22010 0.89961 1.00000
B17 B 0.28032 0.39961 0.72010 1.00000
B18 B 0.40003 0.60039 0.27990 1.00000
B19 B 0.78032 0.22010 0.89961 1.00000
B20 B 0.90003 0.77990 0.10039 1.00000
B21 B 0.32429 0.97072 0.87704 1.00000
B22 B 0.17204 0.02928 0.12296 1.00000
B23 B 0.82429 0.37704 0.47072 1.00000
B24 B 0.67204 0.62296 0.52928 1.00000
B25 B 0.67571 0.02928 0.12296 1.00000
B26 B 0.82796 0.97072 0.87704 1.00000
B27 B 0.17571 0.62296 0.52928 1.00000
B28 B 0.32796 0.37704 0.47072 1.00000
