CeMgB14
Alexandria ALEXAlex-ID: agm005754691 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MgB7 CeB6 B
2023-07-18 13:56:07.114388
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754691).
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 agm005754691
data_agm005754691
_cell_length_a 5.92081
_cell_length_b 7.42634
_cell_length_c 7.42634
_cell_angle_alpha 68.39459
_cell_angle_beta 66.50709
_cell_angle_gamma 66.50709
_cell_volume 266.00653
_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 0.38720 0.11280 1.00000
Ce2 Ce 0.75000 0.61280 0.88720 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66654 0.36434 0.30258 1.00000
B2 B 0.33346 0.63566 0.69742 1.00000
B3 B 0.16654 0.80258 0.86434 1.00000
B4 B 0.83346 0.19742 0.13566 1.00000
B5 B 0.13125 0.23992 0.49757 1.00000
B6 B 0.86875 0.76008 0.50243 1.00000
B7 B 0.63125 0.99757 0.73992 1.00000
B8 B 0.36875 0.00243 0.26008 1.00000
B9 B 0.08239 0.08684 0.74838 1.00000
B10 B 0.91761 0.91316 0.25162 1.00000
B11 B 0.58239 0.24838 0.58684 1.00000
B12 B 0.41761 0.75162 0.41316 1.00000
B13 B 0.72054 0.60001 0.28038 1.00000
B14 B 0.60093 0.39999 0.71962 1.00000
B15 B 0.22054 0.78038 0.10001 1.00000
B16 B 0.10093 0.21962 0.89999 1.00000
B17 B 0.27946 0.39999 0.71962 1.00000
B18 B 0.39907 0.60001 0.28038 1.00000
B19 B 0.77946 0.21962 0.89999 1.00000
B20 B 0.89907 0.78038 0.10001 1.00000
B21 B 0.32403 0.97108 0.87707 1.00000
B22 B 0.17218 0.02892 0.12293 1.00000
B23 B 0.82403 0.37707 0.47108 1.00000
B24 B 0.67218 0.62293 0.52892 1.00000
B25 B 0.67597 0.02892 0.12293 1.00000
B26 B 0.82782 0.97108 0.87707 1.00000
B27 B 0.17597 0.62293 0.52892 1.00000
B28 B 0.32782 0.37707 0.47108 1.00000
