Tm(ReO4)3
Alexandria ALEXAlex-ID: agm079262602 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_473_spg1
Tm(ReO4)3
2025-02-26 10:58:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079262602).
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 agm079262602
data_agm079262602
_cell_length_a 5.79988
_cell_length_b 7.26176
_cell_length_c 8.96109
_cell_angle_alpha 92.97373
_cell_angle_beta 108.56805
_cell_angle_gamma 113.29825
_cell_volume 321.67125
_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
Tm1 Tm 0.05220 0.02392 0.01797 1.00000
Re1 Re 0.45338 0.11033 0.72595 1.00000
Re2 Re 0.81798 0.26575 0.31766 1.00000
Re3 Re 0.31660 0.61686 0.95127 1.00000
O1 O 0.96288 0.16856 0.20540 1.00000
O2 O 0.17213 0.75302 0.02951 1.00000
O3 O 0.20579 0.59641 0.74634 1.00000
O4 O 0.95686 0.52954 0.34379 1.00000
O5 O 0.67264 0.75580 0.02987 1.00000
O6 O 0.21357 0.02944 0.82096 1.00000
O7 O 0.60194 0.37567 0.76017 1.00000
O8 O 0.21903 0.37125 0.99776 1.00000
O9 O 0.70736 0.02830 0.81650 1.00000
O10 O 0.46426 0.16273 0.21013 1.00000
O11 O 0.88349 0.20084 0.50494 1.00000
O12 O 0.29987 0.01157 0.52178 1.00000
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