SmMgB14
Alexandria ALEXAlex-ID: agm005754659 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
SmB6 MgB7 B
2023-07-18 13:56:30.051704
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754659).
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 agm005754659
data_agm005754659
_cell_length_a 5.93473
_cell_length_b 7.40639
_cell_length_c 7.40639
_cell_angle_alpha 68.29509
_cell_angle_beta 66.38119
_cell_angle_gamma 66.38120
_cell_volume 264.65934
_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 0.38959 0.11041 1.00000
Sm2 Sm 0.75000 0.61041 0.88959 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66640 0.36355 0.30364 1.00000
B2 B 0.33360 0.63645 0.69636 1.00000
B3 B 0.16640 0.80364 0.86355 1.00000
B4 B 0.83360 0.19636 0.13645 1.00000
B5 B 0.13294 0.23973 0.49439 1.00000
B6 B 0.86706 0.76027 0.50561 1.00000
B7 B 0.63294 0.99439 0.73973 1.00000
B8 B 0.36706 0.00561 0.26027 1.00000
B9 B 0.08333 0.08599 0.74736 1.00000
B10 B 0.91667 0.91401 0.25264 1.00000
B11 B 0.58333 0.24736 0.58599 1.00000
B12 B 0.41667 0.75264 0.41401 1.00000
B13 B 0.71988 0.60035 0.27947 1.00000
B14 B 0.59970 0.39965 0.72053 1.00000
B15 B 0.21988 0.77947 0.10035 1.00000
B16 B 0.09970 0.22053 0.89965 1.00000
B17 B 0.28012 0.39965 0.72053 1.00000
B18 B 0.40030 0.60035 0.27947 1.00000
B19 B 0.78012 0.22053 0.89965 1.00000
B20 B 0.90030 0.77947 0.10035 1.00000
B21 B 0.32443 0.97043 0.87696 1.00000
B22 B 0.17182 0.02957 0.12304 1.00000
B23 B 0.82443 0.37696 0.47043 1.00000
B24 B 0.67182 0.62304 0.52957 1.00000
B25 B 0.67557 0.02957 0.12304 1.00000
B26 B 0.82818 0.97043 0.87696 1.00000
B27 B 0.17557 0.62304 0.52957 1.00000
B28 B 0.32818 0.37696 0.47043 1.00000
