Ca2SmCu4
Alexandria ALEXAlex-ID: agm014169929 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_169_spg71
SmCu2 CaCu
2025-04-17 14:50:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014169929).
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 agm014169929
data_agm014169929
_cell_length_a 9.77128
_cell_length_b 9.77128
_cell_length_c 9.77128
_cell_angle_alpha 156.92607
_cell_angle_beta 155.00045
_cell_angle_gamma 34.27836
_cell_volume 154.36384
_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
Ca1 Ca 0.31555 0.81555 0.50000 1.00000
Ca2 Ca 0.68445 0.18445 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.13292 0.63292 0.50000 1.00000
Cu2 Cu 0.86708 0.36708 0.50000 1.00000
Cu3 Cu 0.56454 0.56454 0.00000 1.00000
Cu4 Cu 0.43546 0.43546 0.00000 1.00000
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