PmMnB14
Alexandria ALEXAlex-ID: agm005754876 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PmB6 MnB4 B
2023-07-18 14:04:39.185617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754876).
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 agm005754876
data_agm005754876
_cell_length_a 5.85746
_cell_length_b 7.41630
_cell_length_c 7.41630
_cell_angle_alpha 68.10035
_cell_angle_beta 66.73999
_cell_angle_gamma 66.74000
_cell_volume 262.78423
_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 0.37773 0.12227 1.00000
Pm2 Pm 0.75000 0.62227 0.87773 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66617 0.36506 0.30260 1.00000
B2 B 0.33383 0.63494 0.69740 1.00000
B3 B 0.16617 0.80260 0.86506 1.00000
B4 B 0.83383 0.19740 0.13494 1.00000
B5 B 0.12774 0.23947 0.50504 1.00000
B6 B 0.87226 0.76053 0.49496 1.00000
B7 B 0.62774 0.00504 0.73947 1.00000
B8 B 0.37226 0.99496 0.26053 1.00000
B9 B 0.08363 0.08514 0.74761 1.00000
B10 B 0.91637 0.91486 0.25239 1.00000
B11 B 0.58363 0.24761 0.58514 1.00000
B12 B 0.41637 0.75239 0.41486 1.00000
B13 B 0.72053 0.60012 0.27928 1.00000
B14 B 0.59994 0.39988 0.72072 1.00000
B15 B 0.22053 0.77928 0.10012 1.00000
B16 B 0.09994 0.22072 0.89988 1.00000
B17 B 0.27947 0.39988 0.72072 1.00000
B18 B 0.40006 0.60012 0.27928 1.00000
B19 B 0.77947 0.22072 0.89988 1.00000
B20 B 0.90006 0.77928 0.10012 1.00000
B21 B 0.32558 0.97066 0.87520 1.00000
B22 B 0.17144 0.02934 0.12480 1.00000
B23 B 0.82558 0.37520 0.47066 1.00000
B24 B 0.67144 0.62480 0.52934 1.00000
B25 B 0.67442 0.02934 0.12480 1.00000
B26 B 0.82856 0.97066 0.87520 1.00000
B27 B 0.17442 0.62480 0.52934 1.00000
B28 B 0.32856 0.37520 0.47066 1.00000
