SmMnB14
Alexandria ALEXAlex-ID: agm005754801 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
SmB6 MnB4 B
2023-07-18 14:04:38.673574
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754801).
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 agm005754801
data_agm005754801
_cell_length_a 5.85639
_cell_length_b 7.40472
_cell_length_c 7.40472
_cell_angle_alpha 68.10465
_cell_angle_beta 66.70599
_cell_angle_gamma 66.70600
_cell_volume 261.81558
_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
Sm1 Sm 0.25000 0.37775 0.12225 1.00000
Sm2 Sm 0.75000 0.62225 0.87775 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66630 0.36502 0.30238 1.00000
B2 B 0.33370 0.63498 0.69762 1.00000
B3 B 0.16630 0.80238 0.86502 1.00000
B4 B 0.83370 0.19762 0.13498 1.00000
B5 B 0.12813 0.23961 0.50412 1.00000
B6 B 0.87187 0.76039 0.49588 1.00000
B7 B 0.62813 0.00412 0.73961 1.00000
B8 B 0.37187 0.99588 0.26039 1.00000
B9 B 0.08377 0.08526 0.74720 1.00000
B10 B 0.91623 0.91474 0.25280 1.00000
B11 B 0.58377 0.24720 0.58526 1.00000
B12 B 0.41623 0.75280 0.41474 1.00000
B13 B 0.72078 0.60000 0.27880 1.00000
B14 B 0.59958 0.40000 0.72120 1.00000
B15 B 0.22078 0.77880 0.10000 1.00000
B16 B 0.09958 0.22120 0.90000 1.00000
B17 B 0.27922 0.40000 0.72120 1.00000
B18 B 0.40042 0.60000 0.27880 1.00000
B19 B 0.77922 0.22120 0.90000 1.00000
B20 B 0.90042 0.77880 0.10000 1.00000
B21 B 0.32569 0.97037 0.87513 1.00000
B22 B 0.17119 0.02963 0.12487 1.00000
B23 B 0.82569 0.37513 0.47037 1.00000
B24 B 0.67119 0.62487 0.52963 1.00000
B25 B 0.67431 0.02963 0.12487 1.00000
B26 B 0.82881 0.97037 0.87513 1.00000
B27 B 0.17431 0.62487 0.52963 1.00000
B28 B 0.32881 0.37513 0.47037 1.00000
