Lu2C2Br
Alexandria ALEXAlex-ID: agm002201810 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_127_spg15
Lu4C7 Lu3C4 Lu2CBr2
2018-07-09 13:20:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201810).
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
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# CIF generated by HEAS from Alexandria entry agm002201810
data_agm002201810
_cell_length_a 3.89016
_cell_length_b 6.41747
_cell_length_c 7.59847
_cell_angle_alpha 102.83103
_cell_angle_beta 104.83213
_cell_angle_gamma 90.00591
_cell_volume 178.46929
_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
C1 C 0.35081 0.52712 0.43768 1.00000
C2 C 0.91314 0.97287 0.56232 1.00000
C3 C 0.64919 0.47287 0.56232 1.00000
C4 C 0.08686 0.02712 0.43768 1.00000
Lu1 Lu 0.51734 0.84303 0.67974 1.00000
Lu2 Lu 0.16240 0.34303 0.67972 1.00000
Lu3 Lu 0.48266 0.15696 0.32026 1.00000
Lu4 Lu 0.83760 0.65696 0.32027 1.00000
Br1 Br 0.73185 0.24999 0.00000 1.00000
Br2 Br 0.26815 0.75001 1.00000 1.00000
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