YMnB14
Alexandria ALEXAlex-ID: agm005753844 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
YB12 MnB4 YB4
2023-07-18 14:05:39.697316
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753844).
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 agm005753844
data_agm005753844
_cell_length_a 5.85746
_cell_length_b 7.36260
_cell_length_c 7.36260
_cell_angle_alpha 68.06689
_cell_angle_beta 66.56023
_cell_angle_gamma 66.56023
_cell_volume 258.38880
_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
Y1 Y 0.25000 0.37813 0.12187 1.00000
Y2 Y 0.75000 0.62187 0.87813 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66671 0.36481 0.30177 1.00000
B2 B 0.33329 0.63519 0.69823 1.00000
B3 B 0.16671 0.80177 0.86481 1.00000
B4 B 0.83329 0.19823 0.13519 1.00000
B5 B 0.12979 0.24043 0.50000 1.00000
B6 B 0.87021 0.75957 0.50000 1.00000
B7 B 0.62979 1.00000 0.74043 1.00000
B8 B 0.37021 0.00000 0.25957 1.00000
B9 B 0.08444 0.08579 0.74534 1.00000
B10 B 0.91556 0.91421 0.25466 1.00000
B11 B 0.58444 0.24534 0.58579 1.00000
B12 B 0.41556 0.75466 0.41421 1.00000
B13 B 0.72149 0.59972 0.27694 1.00000
B14 B 0.59815 0.40028 0.72306 1.00000
B15 B 0.22149 0.77694 0.09972 1.00000
B16 B 0.09815 0.22306 0.90028 1.00000
B17 B 0.27851 0.40028 0.72306 1.00000
B18 B 0.40185 0.59972 0.27694 1.00000
B19 B 0.77851 0.22306 0.90028 1.00000
B20 B 0.90185 0.77694 0.09972 1.00000
B21 B 0.32602 0.96924 0.87489 1.00000
B22 B 0.17015 0.03076 0.12511 1.00000
B23 B 0.82602 0.37489 0.46924 1.00000
B24 B 0.67015 0.62511 0.53076 1.00000
B25 B 0.67398 0.03076 0.12511 1.00000
B26 B 0.82985 0.96924 0.87489 1.00000
B27 B 0.17398 0.62511 0.53076 1.00000
B28 B 0.32985 0.37489 0.46924 1.00000
