CaPr(ZnSn)2
Alexandria ALEXAlex-ID: agm046849335 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_32_spg164
CaZnSn PrZnSn
2025-04-16 13:17:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046849335).
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 agm046849335
data_agm046849335
_cell_length_a 4.58973
_cell_length_b 4.58973
_cell_length_c 8.38334
_cell_angle_alpha 89.98982
_cell_angle_beta 90.01018
_cell_angle_gamma 120.00822
_cell_volume 152.92743
_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 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.66661 0.33339 0.21224 1.00000
Zn2 Zn 0.33339 0.66661 0.78776 1.00000
Sn1 Sn 0.66667 0.33333 0.74053 1.00000
Sn2 Sn 0.33333 0.66667 0.25947 1.00000
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