SrAcTcO6
Alexandria ALEXAlex-ID: agm005083189 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
Sr(TcO4)2 SrO Ac2O3
2022-12-18 03:51:57.801662
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005083189).
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 agm005083189
data_agm005083189
_cell_length_a 5.77761
_cell_length_b 5.77761
_cell_length_c 5.10405
_cell_angle_alpha 90.00007
_cell_angle_beta 90.00005
_cell_angle_gamma 59.99676
_cell_volume 147.54617
_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
Sr1 Sr 0.66663 0.66666 0.49999 1.00000
Ac1 Ac 0.99997 1.00000 0.99999 1.00000
Tc1 Tc 0.33330 0.33334 0.49999 1.00000
O1 O 0.06912 0.31996 0.28535 1.00000
O2 O 0.31993 0.06915 0.71463 1.00000
O3 O 0.61085 0.32001 0.71464 1.00000
O4 O 0.06904 0.61097 0.71457 1.00000
O5 O 0.31998 0.61088 0.28534 1.00000
O6 O 0.61094 0.06908 0.28541 1.00000
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