CeMnB14
Alexandria ALEXAlex-ID: agm005754852 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CeB6 MnB4 B
2023-07-18 14:09:51.000671
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754852).
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 agm005754852
data_agm005754852
_cell_length_a 5.84230
_cell_length_b 7.40562
_cell_length_c 7.40562
_cell_angle_alpha 68.20011
_cell_angle_beta 66.76829
_cell_angle_gamma 66.76830
_cell_volume 261.57484
_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
Ce1 Ce 0.25000 0.37730 0.12270 1.00000
Ce2 Ce 0.75000 0.62270 0.87730 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66662 0.36531 0.30145 1.00000
B2 B 0.33338 0.63469 0.69855 1.00000
B3 B 0.16662 0.80145 0.86531 1.00000
B4 B 0.83338 0.19855 0.13469 1.00000
B5 B 0.12880 0.23836 0.50404 1.00000
B6 B 0.87120 0.76164 0.49596 1.00000
B7 B 0.62880 0.00404 0.73836 1.00000
B8 B 0.37120 0.99596 0.26164 1.00000
B9 B 0.08377 0.08506 0.74739 1.00000
B10 B 0.91623 0.91494 0.25261 1.00000
B11 B 0.58377 0.24739 0.58506 1.00000
B12 B 0.41623 0.75261 0.41494 1.00000
B13 B 0.72117 0.59990 0.27963 1.00000
B14 B 0.60069 0.40010 0.72037 1.00000
B15 B 0.22117 0.77963 0.09990 1.00000
B16 B 0.10069 0.22037 0.90010 1.00000
B17 B 0.27883 0.40010 0.72037 1.00000
B18 B 0.39931 0.59990 0.27963 1.00000
B19 B 0.77883 0.22037 0.90010 1.00000
B20 B 0.89931 0.77963 0.09990 1.00000
B21 B 0.32591 0.97057 0.87502 1.00000
B22 B 0.17151 0.02943 0.12498 1.00000
B23 B 0.82591 0.37502 0.47057 1.00000
B24 B 0.67151 0.62498 0.52943 1.00000
B25 B 0.67409 0.02943 0.12498 1.00000
B26 B 0.82849 0.97057 0.87502 1.00000
B27 B 0.17409 0.62498 0.52943 1.00000
B28 B 0.32849 0.37502 0.47057 1.00000
