Sc3Cd5Ni
Alexandria ALEXAlex-ID: agm072314280 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1194_spg1
Sc4Cd5Ni2 Sc5(Cd2Ni)2 ScCd3
2024-09-24 20:47:06.792449
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072314280).
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 agm072314280
data_agm072314280
_cell_length_a 5.27268
_cell_length_b 5.42415
_cell_length_c 7.62303
_cell_angle_alpha 106.02921
_cell_angle_beta 111.85856
_cell_angle_gamma 93.13349
_cell_volume 191.42191
_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
Sc1 Sc 0.03879 0.60252 0.51500 1.00000
Sc2 Sc 0.33184 0.78923 0.00498 1.00000
Sc3 Sc 0.61440 0.00299 0.52530 1.00000
Cd1 Cd 0.79330 0.42534 0.07242 1.00000
Cd2 Cd 0.97551 0.99283 0.26882 1.00000
Cd3 Cd 0.24015 0.19957 0.73480 1.00000
Cd4 Cd 0.64785 0.57732 0.71913 1.00000
Cd5 Cd 0.40204 0.38405 0.26092 1.00000
Ni1 Ni 0.95603 0.02615 0.89868 1.00000
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