Gd(CrB3)2
Alexandria ALEXAlex-ID: agm078751598 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_303_spg12
CrB GdB4
2025-01-08 23:53:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078751598).
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 agm078751598
data_agm078751598
_cell_length_a 5.49364
_cell_length_b 5.49364
_cell_length_c 5.49364
_cell_angle_alpha 147.54396
_cell_angle_beta 107.21052
_cell_angle_gamma 81.97027
_cell_volume 83.01314
_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
Gd1 Gd 0.00000 0.50000 0.50000 1.00000
Cr1 Cr 0.65432 0.65432 0.00000 1.00000
Cr2 Cr 0.34568 0.34568 0.00000 1.00000
B1 B 0.06581 0.80367 0.26214 1.00000
B2 B 0.93419 0.19633 0.73786 1.00000
B3 B 0.54154 0.80367 0.73786 1.00000
B4 B 0.45846 0.19633 0.26214 1.00000
B5 B 0.35785 0.00000 0.35785 1.00000
B6 B 0.64215 0.00000 0.64215 1.00000
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