Ca(ReO4)2
Alexandria ALEXAlex-ID: agm080886768 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_424_spg12
Ca(ReO4)2
2025-03-12 12:34:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080886768).
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 agm080886768
data_agm080886768
_cell_length_a 6.70785
_cell_length_b 7.19493
_cell_length_c 6.70624
_cell_angle_alpha 62.26158
_cell_angle_beta 59.99399
_cell_angle_gamma 62.25757
_cell_volume 236.35830
_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 0.49721 0.32643 0.58794 1.00000
Re1 Re 0.17095 0.30536 0.26160 1.00000
Re2 Re 0.72902 0.63112 0.82027 1.00000
O1 O 0.61561 0.53576 0.13808 1.00000
O2 O 0.63352 0.91812 0.72396 1.00000
O3 O 0.62059 0.53441 0.70760 1.00000
O4 O 0.04671 0.53509 0.71170 1.00000
O5 O 0.34964 0.20753 0.00919 1.00000
O6 O 0.34215 0.20790 0.44038 1.00000
O7 O 0.07638 0.59022 0.16648 1.00000
O8 O 0.91824 0.20805 0.43279 1.00000
Get direct link