Ac(CeCr)3
Alexandria ALEXAlex-ID: agm012298308 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_2595_spg2
Ac Ce Cr
2024-06-24 11:23:15.861072
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012298308).
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 agm012298308
data_agm012298308
_cell_length_a 7.32608
_cell_length_b 6.40164
_cell_length_c 7.50139
_cell_angle_alpha 109.49491
_cell_angle_beta 95.54692
_cell_angle_gamma 87.46964
_cell_volume 330.05900
_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
Ac1 Ac 0.30276 0.53623 0.80011 1.00000
Ac2 Ac 0.69724 0.46377 0.19989 1.00000
Ce1 Ce 0.13491 0.11320 0.95593 1.00000
Ce2 Ce 0.45990 0.04673 0.30981 1.00000
Ce3 Ce 0.80911 0.47373 0.68998 1.00000
Ce4 Ce 0.19089 0.52627 0.31002 1.00000
Ce5 Ce 0.54010 0.95327 0.69019 1.00000
Ce6 Ce 0.86509 0.88680 0.04407 1.00000
Cr1 Cr 0.93885 0.71455 0.59473 1.00000
Cr2 Cr 0.74432 0.01414 0.40970 1.00000
Cr3 Cr 0.04060 0.87222 0.30788 1.00000
Cr4 Cr 0.95940 0.12778 0.69212 1.00000
Cr5 Cr 0.25568 0.98586 0.59030 1.00000
Cr6 Cr 0.06115 0.28545 0.40527 1.00000
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