SrMnB14
Alexandria ALEXAlex-ID: agm005754761 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MnB4 B SrB6
2023-07-18 14:04:24.595024
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754761).
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 agm005754761
data_agm005754761
_cell_length_a 5.88974
_cell_length_b 7.44611
_cell_length_c 7.44611
_cell_angle_alpha 68.43923
_cell_angle_beta 66.70337
_cell_angle_gamma 66.70338
_cell_volume 266.71417
_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
Sr1 Sr 0.25000 0.38635 0.11365 1.00000
Sr2 Sr 0.75000 0.61365 0.88635 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66483 0.36494 0.30541 1.00000
B2 B 0.33517 0.63506 0.69459 1.00000
B3 B 0.16483 0.80541 0.86494 1.00000
B4 B 0.83517 0.19459 0.13506 1.00000
B5 B 0.12885 0.23887 0.50344 1.00000
B6 B 0.87115 0.76113 0.49656 1.00000
B7 B 0.62885 0.00344 0.73887 1.00000
B8 B 0.37115 0.99656 0.26113 1.00000
B9 B 0.08393 0.08320 0.74893 1.00000
B10 B 0.91607 0.91680 0.25107 1.00000
B11 B 0.58393 0.24893 0.58320 1.00000
B12 B 0.41607 0.75107 0.41680 1.00000
B13 B 0.71711 0.60250 0.28223 1.00000
B14 B 0.60185 0.39750 0.71777 1.00000
B15 B 0.21711 0.78223 0.10250 1.00000
B16 B 0.10185 0.21777 0.89750 1.00000
B17 B 0.28289 0.39750 0.71777 1.00000
B18 B 0.39815 0.60250 0.28223 1.00000
B19 B 0.78289 0.21777 0.89750 1.00000
B20 B 0.89815 0.78223 0.10250 1.00000
B21 B 0.32511 0.97020 0.87620 1.00000
B22 B 0.17151 0.02980 0.12380 1.00000
B23 B 0.82511 0.37620 0.47020 1.00000
B24 B 0.67151 0.62380 0.52980 1.00000
B25 B 0.67489 0.02980 0.12380 1.00000
B26 B 0.82849 0.97020 0.87620 1.00000
B27 B 0.17489 0.62380 0.52980 1.00000
B28 B 0.32849 0.37620 0.47020 1.00000
