CeB14W
Alexandria ALEXAlex-ID: agm005754244 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CeB6 B2W B
2023-07-18 13:51:58.443127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754244).
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 agm005754244
data_agm005754244
_cell_length_a 5.86535
_cell_length_b 7.47449
_cell_length_c 7.47449
_cell_angle_alpha 66.67355
_cell_angle_beta 66.89871
_cell_angle_gamma 66.89870
_cell_volume 265.65485
_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 0.37359 0.12641 1.00000
Ce2 Ce 0.75000 0.62641 0.87359 1.00000
B1 B 0.66793 0.36250 0.30164 1.00000
B2 B 0.33207 0.63751 0.69836 1.00000
B3 B 0.16793 0.80164 0.86250 1.00000
B4 B 0.83207 0.19836 0.13750 1.00000
B5 B 0.11872 0.25196 0.51060 1.00000
B6 B 0.88128 0.74804 0.48940 1.00000
B7 B 0.61872 0.01060 0.75196 1.00000
B8 B 0.38128 0.98940 0.24804 1.00000
B9 B 0.07907 0.09246 0.74941 1.00000
B10 B 0.92093 0.90754 0.25059 1.00000
B11 B 0.57907 0.24941 0.59246 1.00000
B12 B 0.42093 0.75059 0.40754 1.00000
B13 B 0.72557 0.59660 0.27454 1.00000
B14 B 0.59671 0.40340 0.72546 1.00000
B15 B 0.22557 0.77454 0.09660 1.00000
B16 B 0.09671 0.22546 0.90340 1.00000
B17 B 0.27443 0.40340 0.72546 1.00000
B18 B 0.40329 0.59660 0.27454 1.00000
B19 B 0.77443 0.22546 0.90340 1.00000
B20 B 0.90329 0.77454 0.09660 1.00000
B21 B 0.32241 0.97379 0.87390 1.00000
B22 B 0.17010 0.02621 0.12610 1.00000
B23 B 0.82241 0.37390 0.47379 1.00000
B24 B 0.67010 0.62610 0.52621 1.00000
B25 B 0.67759 0.02621 0.12610 1.00000
B26 B 0.82990 0.97379 0.87390 1.00000
B27 B 0.17759 0.62610 0.52621 1.00000
B28 B 0.32990 0.37390 0.47379 1.00000
W1 W 0.50000 0.00000 0.50000 1.00000
W2 W 0.00000 0.00000 0.50000 1.00000
