Ca2Zn2Ru
Alexandria ALEXAlex-ID: agm005841018 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2031_spg12
CaZnRu Ca2Zn3Ru Ca5Zn3
2023-08-03 10:56:50.736764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005841018).
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 agm005841018
data_agm005841018
_cell_length_a 4.32097
_cell_length_b 5.59789
_cell_length_c 5.75430
_cell_angle_alpha 119.10483
_cell_angle_beta 112.05247
_cell_angle_gamma 90.00001
_cell_volume 109.81112
_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 0.80439 0.30439 0.60878 1.00000
Ca2 Ca 0.19561 0.69561 0.39122 1.00000
Zn1 Zn 0.50000 0.75850 1.00000 1.00000
Zn2 Zn 0.50000 0.24150 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
