Sm(TcO4)3
Alexandria ALEXAlex-ID: agm086567904 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_452_spg5
Sm(TcO4)3
2025-03-24 09:04:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm086567904).
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 agm086567904
data_agm086567904
_cell_length_a 7.10848
_cell_length_b 7.40577
_cell_length_c 7.40321
_cell_angle_alpha 98.54489
_cell_angle_beta 100.49855
_cell_angle_gamma 84.64218
_cell_volume 378.07261
_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
Sm1 Sm 0.86363 0.97550 0.89781 1.00000
Tc1 Tc 0.05015 0.01021 0.45574 1.00000
Tc2 Tc 0.02539 0.48923 0.04125 1.00000
Tc3 Tc 0.44447 0.00685 0.02493 1.00000
O1 O 0.59594 0.81016 0.98303 1.00000
O2 O 0.55979 0.16217 0.93194 1.00000
O3 O 0.20545 0.97915 0.91582 1.00000
O4 O 0.45319 0.06792 0.25790 1.00000
O5 O 0.87674 0.96600 0.58665 1.00000
O6 O 0.13745 0.21811 0.54466 1.00000
O7 O 0.94644 0.01235 0.21896 1.00000
O8 O 0.23642 0.84652 0.47482 1.00000
O9 O 0.93919 0.55515 0.24474 1.00000
O10 O 0.92386 0.28631 0.92539 1.00000
O11 O 0.26939 0.44683 0.09498 1.00000
O12 O 0.97251 0.66756 0.90139 1.00000
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