NdMnB14
Alexandria ALEXAlex-ID: agm005754793 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
NdB6 MnB4 B
2023-07-18 14:04:21.399177
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754793).
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 agm005754793
data_agm005754793
_cell_length_a 5.86019
_cell_length_b 7.43295
_cell_length_c 7.43295
_cell_angle_alpha 68.09519
_cell_angle_beta 66.78370
_cell_angle_gamma 66.78370
_cell_volume 264.21895
_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
Nd1 Nd 0.25000 0.37770 0.12230 1.00000
Nd2 Nd 0.75000 0.62230 0.87770 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66596 0.36501 0.30308 1.00000
B2 B 0.33404 0.63499 0.69692 1.00000
B3 B 0.16596 0.80308 0.86501 1.00000
B4 B 0.83404 0.19692 0.13499 1.00000
B5 B 0.12716 0.23932 0.50637 1.00000
B6 B 0.87284 0.76068 0.49363 1.00000
B7 B 0.62716 0.00637 0.73932 1.00000
B8 B 0.37284 0.99363 0.26068 1.00000
B9 B 0.08342 0.08501 0.74815 1.00000
B10 B 0.91658 0.91499 0.25185 1.00000
B11 B 0.58342 0.24815 0.58501 1.00000
B12 B 0.41658 0.75185 0.41499 1.00000
B13 B 0.72016 0.60025 0.27995 1.00000
B14 B 0.60036 0.39975 0.72005 1.00000
B15 B 0.22016 0.77995 0.10025 1.00000
B16 B 0.10036 0.22005 0.89975 1.00000
B17 B 0.27984 0.39975 0.72005 1.00000
B18 B 0.39964 0.60025 0.27995 1.00000
B19 B 0.77984 0.22005 0.89975 1.00000
B20 B 0.89964 0.77995 0.10025 1.00000
B21 B 0.32538 0.97112 0.87527 1.00000
B22 B 0.17177 0.02888 0.12473 1.00000
B23 B 0.82538 0.37527 0.47112 1.00000
B24 B 0.67177 0.62473 0.52888 1.00000
B25 B 0.67462 0.02888 0.12473 1.00000
B26 B 0.82823 0.97112 0.87527 1.00000
B27 B 0.17462 0.62473 0.52888 1.00000
B28 B 0.32823 0.37527 0.47112 1.00000
