CeCrB14
Alexandria ALEXAlex-ID: agm005755583 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CeB6 CrB4 B
2023-07-18 14:03:46.797277
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755583).
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 agm005755583
data_agm005755583
_cell_length_a 5.83852
_cell_length_b 7.39167
_cell_length_c 7.39167
_cell_angle_alpha 67.97634
_cell_angle_beta 66.73784
_cell_angle_gamma 66.73784
_cell_volume 260.01915
_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 0.37742 0.12258 1.00000
Ce2 Ce 0.75000 0.62258 0.87742 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66700 0.36399 0.30202 1.00000
B2 B 0.33300 0.63601 0.69798 1.00000
B3 B 0.16700 0.80202 0.86399 1.00000
B4 B 0.83300 0.19798 0.13601 1.00000
B5 B 0.12808 0.23905 0.50480 1.00000
B6 B 0.87192 0.76095 0.49520 1.00000
B7 B 0.62808 0.00480 0.73905 1.00000
B8 B 0.37192 0.99520 0.26095 1.00000
B9 B 0.08343 0.08606 0.74707 1.00000
B10 B 0.91657 0.91394 0.25293 1.00000
B11 B 0.58343 0.24707 0.58606 1.00000
B12 B 0.41657 0.75293 0.41394 1.00000
B13 B 0.72242 0.59874 0.27835 1.00000
B14 B 0.59952 0.40126 0.72165 1.00000
B15 B 0.22242 0.77835 0.09874 1.00000
B16 B 0.09952 0.22165 0.90126 1.00000
B17 B 0.27758 0.40126 0.72165 1.00000
B18 B 0.40048 0.59874 0.27835 1.00000
B19 B 0.77758 0.22165 0.90126 1.00000
B20 B 0.90048 0.77835 0.09874 1.00000
B21 B 0.32634 0.97113 0.87324 1.00000
B22 B 0.17071 0.02887 0.12676 1.00000
B23 B 0.82634 0.37324 0.47113 1.00000
B24 B 0.67071 0.62676 0.52887 1.00000
B25 B 0.67366 0.02887 0.12676 1.00000
B26 B 0.82929 0.97113 0.87324 1.00000
B27 B 0.17366 0.62676 0.52887 1.00000
B28 B 0.32929 0.37324 0.47113 1.00000
