Sc2PaCo2
Alexandria ALEXAlex-ID: agm034308768 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2_spg71
Sc2PaCo2
2024-09-25 03:18:22.441503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034308768).
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 agm034308768
data_agm034308768
_cell_length_a 5.63352
_cell_length_b 5.63352
_cell_length_c 5.63352
_cell_angle_alpha 143.71161
_cell_angle_beta 116.77901
_cell_angle_gamma 75.13167
_cell_volume 92.52611
_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 0.30746 0.80746 0.50000 1.00000
Sc2 Sc 0.69254 0.19254 0.50000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.29000 0.50000 0.79000 1.00000
Co2 Co 0.71000 0.50000 0.21000 1.00000
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