PmCo(TcO4)2
Alexandria ALEXAlex-ID: agm004897367 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_5_spg82
Pm(TcO4)2 Pm5(TcO6)2 Co3O4 TcO2
2023-01-03 08:54:38.360492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004897367).
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 agm004897367
data_agm004897367
_cell_length_a 5.15940
_cell_length_b 5.15940
_cell_length_c 6.68276
_cell_angle_alpha 112.70729
_cell_angle_beta 112.70729
_cell_angle_gamma 90.00000
_cell_volume 149.04383
_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
Pm1 Pm 0.75000 0.25000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.50000 0.50000 0.00000 1.00000
Tc2 Tc 0.25000 0.75000 0.50000 1.00000
O1 O 0.75794 0.83245 0.16162 1.00000
O2 O 0.40368 0.32917 0.16162 1.00000
O3 O 0.59133 0.67581 0.67695 1.00000
O4 O 0.08562 0.00114 0.67695 1.00000
O5 O 0.99886 0.40867 0.32305 1.00000
O6 O 0.32419 0.91438 0.32305 1.00000
O7 O 0.16755 0.59632 0.83838 1.00000
O8 O 0.67083 0.24206 0.83838 1.00000
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